Online Demo Results
| Specifier | system |
|---|---|
| Extraction Method | AutoTableParser |
| Specifier Updated | False |
| Specifier | Crystal system |
|---|
| Value | 531.0 |
|---|---|
| Raw Value | 531.00 |
| Specifier | F(000) |
| Value | 296.2 |
|---|---|
| Units | Kelvin^(1.0) |
| Raw Value | 296.2 |
| Raw Units | K |
| Specifier | T |
| Value | 354.76 |
|---|---|
| Raw Value | 354.76 |
| Specifier | M |
| Specifier | system |
|---|---|
| Extraction Method | AutoTableParser |
| Specifier Updated | False |
| Specifier | Crystal system |
|---|
| Value | 354.0 |
|---|---|
| Raw Value | 354.00 |
| Specifier | F(000) |
| Value | 296.2 |
|---|---|
| Units | Kelvin^(1.0) |
| Raw Value | 296.2 |
| Raw Units | K |
| Specifier | T |
| Value | 709.52 |
|---|---|
| Raw Value | 709.52 |
| Specifier | M |
| Specifier | system |
|---|---|
| Extraction Method | AutoTableParser |
| Specifier Updated | False |
| Specifier | Crystal system |
|---|
| Value | 852.0 |
|---|---|
| Raw Value | 852.00 |
| Specifier | F(000) |
| Value | 296.2 |
|---|---|
| Units | Kelvin^(1.0) |
| Raw Value | 296.2 |
| Raw Units | K |
| Specifier | T |
| Value | 443.66 |
|---|---|
| Raw Value | 443.66 |
| Specifier | M |
| Specifier | system |
|---|---|
| Extraction Method | AutoTableParser |
| Specifier Updated | False |
| Specifier | Crystal system |
|---|
| Value | 640.0 |
|---|---|
| Raw Value | 640.00 |
| Specifier | F(000) |
| Value | 296.2 |
|---|---|
| Units | Kelvin^(1.0) |
| Raw Value | 296.2 |
| Raw Units | K |
| Specifier | T |
| Value | 319.31 |
|---|---|
| Raw Value | 319.31 |
| Specifier | M |
| Specifier | system |
|---|---|
| Extraction Method | AutoTableParser |
| Specifier Updated | False |
| Specifier | Crystal system |
|---|
| Value | 324.0 |
|---|---|
| Raw Value | 324.00 |
| Specifier | F(000) |
| Value | 296.2 |
|---|---|
| Units | Kelvin^(1.0) |
| Raw Value | 296.2 |
| Raw Units | K |
| Specifier | T |
| Value | 331.7 |
|---|---|
| Raw Value | 331.70 |
| Specifier | M |
| Specifier | Space group |
|---|---|
| Extraction Method | AutoTableParser |
| Specifier Updated | False |
| Value | 188.25 |
|---|---|
| Raw Value | 188.25 |
| Specifier | M |
| Specifier | system |
|---|---|
| Extraction Method | AutoTableParser |
| Specifier Updated | False |
| Specifier | Crystal system |
|---|
| Value | 740.0 |
|---|---|
| Raw Value | 740.00 |
| Specifier | F(000) |
| Value | 296.2 |
|---|---|
| Units | Kelvin^(1.0) |
| Raw Value | 296.2 |
| Raw Units | K |
| Specifier | T |
| Value | 368.79 |
|---|---|
| Raw Value | 368.79 |
| Specifier | M |
| Specifier | system |
|---|---|
| Extraction Method | AutoTableParser |
| Specifier Updated | False |
| Specifier | Crystal system |
|---|
| Value | 1188.0 |
|---|---|
| Raw Value | 1188.00 |
| Specifier | F(000) |
| Value | 296.2 |
|---|---|
| Units | Kelvin^(1.0) |
| Raw Value | 296.2 |
| Raw Units | K |
| Specifier | T |
| Value | 592.03 |
|---|---|
| Raw Value | 592.03 |
| Specifier | M |
Table-standardization powered by TableDataExtractor, view originals here
Table 1 Crystallographic data for 1–4, 8, 9 and ppt
| Data | Row Categories | Column Categories |
|---|---|---|
| 296.2 | T/K | 1 |
| 296.2 | T/K | 2 |
| 296.2 | T/K | 3 |
| 296.2 | T/K | 4 |
| 296.2 | T/K | 8 |
| 296.2 | T/K | ppt |
| 296.2 | T/K | 9 |
| 296.2 | T/K | 14 |
| CuC10H8Cl2N2S2 | Formula | 1 |
| Cu2C20H16Cl4N4S4 | Formula | 2 |
| CuC10H8Br2N2S2 | Formula | 3 |
| CuC10H8ClN2S2 | Formula | 4 |
| CuC10H8BrN2S | Formula | 8 |
| C10H8N2S | Formula | ppt |
| CuC11H10Cl2N2S2 | Formula | 9 |
| CuC18H15F6N4PS3 | Formula | 14 |
| 354.76 | M | 1 |
| 709.52 | M | 2 |
| 443.66 | M | 3 |
| 319.31 | M | 4 |
| 331.70 | M | 8 |
| 188.25 | M | ppt |
| 368.79 | M | 9 |
| 592.03 | M | 14 |
| Trigonal | Crystal system | 1 |
| Triclinic | Crystal system | 2 |
| Monoclinic | Crystal system | 3 |
| Monoclinic | Crystal system | 4 |
| Triclinic | Crystal system | 8 |
| Monoclinic | Crystal system | ppt |
| Monoclinic | Crystal system | 9 |
| Monoclinic | Crystal system | 14 |
| P31 (no. 144) | Space group | 1 |
| P1̄ (no. 2) | Space group | 2 |
| C2/c (no. 15) | Space group | 3 |
| P21/n (no. 14) | Space group | 4 |
| P1̄ (no. 2) | Space group | 8 |
| P21 (no. 4) | Space group | ppt |
| P21/n (no. 14) | Space group | 9 |
| P21/a (no. 14) | Space group | 14 |
| 8.3704(9) | a/Å | 1 |
| 7.530(1) | a/Å | 2 |
| 13.241(2) | a/Å | 3 |
| 7.933(3) | a/Å | 4 |
| 7.655(1) | a/Å | 8 |
| 6.655(1) | a/Å | ppt |
| 12.476(1) | a/Å | 9 |
| 14.414(2) | a/Å | 14 |
| 8.3704(9) | b/Å | 1 |
| 8.2269(9) | b/Å | 2 |
| 7.499(1) | b/Å | 3 |
| 15.061(2) | b/Å | 4 |
| 8.821(1) | b/Å | 8 |
| 6.641(2) | b/Å | ppt |
| 8.4932(9) | b/Å | 9 |
| 10.132(2) | b/Å | 14 |
| 16.774(2) | c/Å | 1 |
| 11.618(1) | c/Å | 2 |
| 14.093(1) | c/Å | 3 |
| 10.383(2) | c/Å | 4 |
| 9.4081(9) | c/Å | 8 |
| 10.4614(7) | c/Å | ppt |
| 13.1982(8) | c/Å | 9 |
| 15.605(2) | c/Å | 14 |
| 90 | α/° | 1 |
| 87.87(1) | α/° | 2 |
| 90 | α/° | 3 |
| 90 | α/° | 4 |
| 72.237(9) | α/° | 8 |
| 90 | α/° | ppt |
| 90 | α/° | 9 |
| 90 | α/° | 14 |
| 90 | β/° | 1 |
| 73.02(1) | β/° | 2 |
| 102.203(9) | β/° | 3 |
| 112.43(2) | β/° | 4 |
| 72.262(9) | β/° | 8 |
| 90.288(8) | β/° | ppt |
| 99.004(6) | β/° | 9 |
| 91.534(4) | β/° | 14 |
| 120 | γ/° | 1 |
| 71.86(1) | γ/° | 2 |
| 90 | γ/° | 3 |
| 90 | γ/° | 4 |
| 67.494(10) | γ/° | 8 |
| 90 | γ/° | ppt |
| 90 | γ/° | 9 |
| 90 | γ/° | 14 |
| 1017.8(2) | U/Å3 | 1 |
| 653.0(2) | U/Å3 | 2 |
| 1367.7(3) | U/Å3 | 3 |
| 1146.6(4) | U/Å3 | 4 |
| 546.0(1) | U/Å3 | 8 |
| 456.3(1) | U/Å3 | ppt |
| 1381.3(2) | U/Å3 | 9 |
| 2278.4(6) | U/Å3 | 14 |
| 3 | Z | 1 |
| 2 | Z | 2 |
| 1 | Z | 3 |
| 4 | Z | 4 |
| 2 | Z | 8 |
| 2 | Z | ppt |
| 4 | Z | 9 |
| 4 | Z | 14 |
| 8.586 | μ(Mo-Kα)/mm−1 | 1 |
| 2.376 | μ(Mo-Kα)/mm−1 | 2 |
| 7.740 | μ(Mo-Kα)/mm−1 | 3 |
| 2.470 | μ(Mo-Kα)/mm−1 | 4 |
| 5.825 | μ(Mo-Kα)/mm−1 | 8 |
| 0.303 | μ(Mo-Kα)/mm−1 | ppt |
| 2.250 | μ(Mo-Kα)/mm−1 | 9 |
| 1.368 | μ(Mo-Kα)/mm−1 | 14 |
| 531.00 | F(000) | 1 |
| 354.00 | F(000) | 2 |
| 852.00 | F(000) | 3 |
| 640.00 | F(000) | 4 |
| 324.00 | F(000) | 8 |
| 196.00 | F(000) | ppt |
| 740.00 | F(000) | 9 |
| 1188.00 | F(000) | 14 |
| 2352 | Data collected | 1 |
| 4059 | Data collected | 2 |
| 2233 | Data collected | 3 |
| 3686 | Data collected | 4 |
| 3374 | Data collected | 8 |
| 3104 | Data collected | ppt |
| 4461 | Data collected | 9 |
| 22495 | Data collected | 14 |
| 2016 (0.018) | Unique data (Rint) | 1 |
| 3812 (0.007) | Unique data (Rint) | 2 |
| 2004 (0.018) | Unique data (Rint) | 3 |
| 3338 (0.018) | Unique data (Rint) | 4 |
| 3184 (0.007) | Unique data (Rint) | 8 |
| 2663 (0.016) | Unique data (Rint) | ppt |
| 4027 (0.032) | Unique data (Rint) | 9 |
| 5117 (0.040) | Unique data (Rint) | 14 |
| 2003 | Observed data [I > 2σ(I)] | 1 |
| 3310 | Observed data [I > 2σ(I)] | 2 |
| 1555 | Observed data [I > 2σ(I)] | 3 |
| 2440 | Observed data [I > 2σ(I)] | 4 |
| 2587 | Observed data [I > 2σ(I)] | 8 |
| 2433 | Observed data [I > 2σ(I)] | ppt |
| 2588 | Observed data [I > 2σ(I)] | 9 |
| 3700 | Observed data [I > 2σ(I)] | 14 |
| 0.0306 | Final R1 [I > 2σ(I)] | 1 |
| 0.0244 | Final R1 [I > 2σ(I)] | 2 |
| 0.0290 | Final R1 [I > 2σ(I)] | 3 |
| 0.0312 | Final R1 [I > 2σ(I)] | 4 |
| 0.0303 | Final R1 [I > 2σ(I)] | 8 |
| 0.0286 | Final R1 [I > 2σ(I)] | ppt |
| 0.0396 | Final R1 [I > 2σ(I)] | 9 |
| 0.0415 | Final R1 [I > 2σ(I)] | 14 |
| 0.0857 | wR2 | 1 |
| 0.0631 | wR2 | 2 |
| 0.0700 | wR2 | 3 |
| 0.0687 | wR2 | 4 |
| 0.0737 | wR2 | 8 |
| 0.0828 | wR2 | ppt |
| 0.0978 | wR2 | 9 |
| 0.1054 | wR2 | 14 |
Table 2 Electrochemical data for [Cu(TPTM)(CH3CN)]PF6 and [CuBr(TPTM)]
| Data | Row Categories | Column Categories |
|---|---|---|
| [Cu(TPTM)(CH3CN)] | [Cu(TPTM)(CH3CN)] | E/V (Epa − Epc) |
| −0.174 (0.089), 0.65 (0.100) | CH2Cl2 | E/V (Epa − Epc) |
| −0.327 (0.064), 0.654 (pc) | CH3CN | E/V (Epa − Epc) |
| NoValue | E/V (Epa − Epc) | |
| [CuBr(TPTM)] | [CuBr(TPTM)] | E/V (Epa − Epc) |
| −0.691 (pa), 0.462 (0.063) | CH2Cl2 | E/V (Epa − Epc) |
| −0.359 (0.065), 0.512 (0.084) | CH3CN | E/V (Epa − Epc) |
Table 3 S–S Bond distances (Å) and C–S–S–C torsion angles (°) for Cu(II) complexes 1–3
| Data | Row Categories | Column Categories |
|---|---|---|
| S–S | S–S | 2 |
| S–S | S–S | 3 |
| 2.024(1) | 2.031(2) | 2 |
| 2.059(2) | 2.031(2) | 3 |
| 2.047(1) | 2 | |
| NoValue | 3 | |
| C–S–S–C | C–S–S–C | 2 |
| C–S–S–C | C–S–S–C | 3 |
| 71.1(2) | 71.1(2) | 2 |
| 108.9(2) | 71.1(2) | 3 |
Check out ImageDataExtractor to extract data from images.
Figure 5: Ligand abbreviations: 3-mpds = 2,2′-bis(3-methylpyridyl)disulfide; 6-mpds = 2,2′-bis(6-methylpyridyl)disulfide (6-mpds); 6,3-mppt = 6-methyl-1-[2-(3-methyl)pyridyl]pyridinium-2-thiolate.
Copyright by Royal Society of Chemistry
Figure 8: Cyclic voltammetry of [Cu(CH3CN)(TPTM)]PF6 (thin line) and [CuBr(TPTM)] (thick line) in (a) CH2Cl2 and (b) CH3CN.
Copyright by Royal Society of Chemistry
Figure 9: Absorption spectra of 14 in an electrolysis cell: (a) in CH2Cl2 before electrolysis (b) after electrolysis and measured in situ.
Copyright by Royal Society of Chemistry
Figure 10: Frozen glass ESR spectrum of [Cu(CH3CN)(TPTM)]PF6 in CH3CN ∶ CH2Cl2 ∶ C3H7CN = 1 ∶ 1 ∶ 1.
Copyright by Royal Society of Chemistry
Figure 11: ORTEP drawing of 1 with a view along the 31 axis in the P31 space group (upper) and a stereoscopic view of the helicate. Part of the pyridine rings are removed for clarity.
Copyright by Royal Society of Chemistry
Figure 14: ORTEP drawing of 8 along with a schematic representation.
Copyright by Royal Society of Chemistry
| DOI | 10.1039/b210420m |
|---|---|
| Journal | Dalton Transactions |
| Volume | 0 |
| Issue | 10 |
| First Page | 1993 |
| Last Page | 2003 |
| Publisher | Royal Society of Chemistry |
| Published Date | 2003-05-15 |
| Authors | Isamu Kinoshita; L. James Wright; Sachiko Kubo; Kentaro Kimura; Akio Sakata; Toshihiro Yano; Riichi Miyamoto; Takanori Nishioka; Kiyoshi Isobe; Isamu Kinoshita; L. James Wright; Sachiko Kubo; Kentaro Kimura; Akio Sakata; Toshihiro Yano; Riichi Miyamoto; Takanori Nishioka; Kiyoshi Isobe |
| Title | Design and synthesis of copper complexes of novel ligands based on the pyridine thiolate group |
| URL HTML | http://pubs.rsc.org/en/Content/ArticleLanding/2003/DT/B210420M |
| URL PDF | http://pubs.rsc.org/en/Content/ArticlePDF/2003/DT/B210420M |
Abbreviations
| dpds | 2,2′-dipyridyldisulfide |
|---|---|
| BPTM | bis(2-pyridylthio)methane |
| TPTMH | tris(2-pyridylthio)methane |
| pyt | pyridine-2-thiolate |
| 5mpyt | 5-methylpyridine-2-thiolate |
| ppt | 1-(2-pyridyl)pyridinium-2-thiolate |
| BPTM | bis(2-pyridylthio)methane |
| 4-py | 149.44 ( 6-py ) , 136.02 |
| 5-py | 122.50 ( 3-py ) , 119.71 |
| TPTM | Tris(2-pyridylthio)methane |
| 3-py | 136.31 ( 4-py ) , 122.20 |
| 6,3-mppt | 6-methyl-1-[2-(3-methyl)pyridyl]pyridinium-2-thiolate |
| 3-mpds | 2,2′-bis(3-methylpyridyl)disulfide |
| 6-mpds | 2,2′-bis(6-methylpyridyl)disulfide |
| dpds | 2,2′-dipyridyldisulfide |
| ppt | 1-(2-pyridyl)pyridinium-2-thiolate |
| ppt | 1-(2-pyridyl)pyridinium-2-thiolate |
| 6-mpds | 2,2′-bis(6-methylpyridine)disulfide |
| 3-mpds | 2,2′-bis(3-methylpyridine)disulfide |
| 3-mpds | 2,2′-bis(3-methylpyridyl)disulfide |
| 6-mpds | 2,2′-bis(6-methylpyridyl)disulfide |
| 6,3-mppt | 6-methyl-1-[2-(3-methyl)pyridyl]pyridinium-2-thiolate |
| 3-mpds | 2,2′-bis(3-methylpyridyl)disulfide |
| 6-mpds | 2,2′-bis(6-methylpyridyl)disulfide |
| 6,3-mppt | 6-methyl-1-[2-(3-methyl)pyridyl]pyridinium-2-thiolate |
| 6-mpds | 2,2′-bis(6-methylpyridyl)disulfide |
| TPTMH | the new ligandTris(2-pyridylthio)methane |
| 2-dpds | 2,2′-dipyridyldisulfide |
| ppt | 1-(2-pyridyl)pyridinium-2-thiolate |
| BPTM | bis(2-pyridylthio)methane |
| dpds | 2,2′-dipyridyldisulfide |
| TPTMH | tris(2-pyridylthio)methane |
Quantity Definitions
| Toshihiro | Akio Sakata |
|---|---|
| Takanori | Riichi Miyamoto |
| [CuCl2(μ-dpds)] | including |
| [Cu(μ-1-(2-pyridine)pyridiniumthiolato)(μ-Cl)] | betain - containing product |
| [Cu(CH3CN)(TPTM)]PF6 | complex |
| [Cu(μ-pyt)]6 | hexanuclear complex |
| ϕ | H-shaped cell |
| ϕ | H-shaped cell |
| ε | nm |
| ϕ | H-shaped cell |
| ϕ | H-shaped cell |
| λ | monochromated Cu-Kα radiation |
| λ | Rigaku AFC-7S diffractometer using Mo-Kα radiation |
| λ | monochromated Mo-Kα radiation |
| [CuI(μ-Cl)(μ-dpds)]n | - containing material |
| [Cu(μ-Br)(dpds)]2 | formula |
| [Cu(μ-Cl)(dpds)]2 | congener |
| [Cu(μ-Cl)(dpds)]2 | congener |
| [Cu(TPTM)(CH3CN)]PF6 | interesting product |
| [CuBr(TPTM)] | related complex |
| Table | interesting electrochemistry |
| [CuBr(TPTM)] | contrast |
| [CuBr(TPTM)] | result |
| [CuX(TPTM)]0 | form |
| ε | nm |
| ε | nm |
| ε | nm |
| TPTM | anionic |
| ε | nm |
| ε | nm |
| ε | nm |
| [Cu(TPTM)(CH3CN)]PF6 | frozen glass |
| [Cu(μ-Br)(dpds)]2 | dimeric complex |
| BPTM | different |
| [Cu(TPTM)(CH3CN)]PF6 | complex |
| ORTEP | K. Johnson |
| TN | Oak Ridge |
Chemical Entity Mentions
| pyridine |
| Cu(II) |
| sulfur |
| [Cu(μ-Br){1-(2-pyridyl)pyridinium-2-thiolate}]n |
| copper |
| methanol |
| CuCl |
| MeOH |
| potassium cyanide |
| yellow precipitate |
| Br |
| H |
| Cu |
| [CuCl2(μ-dpds)]n |
| 2,2′-bis(6-methylpyridyl)disulfide |
| CuCl2(μ-dpds) |
| KOH |
| dpds |
| ppt |
| Cu–C |
| bromide |
| 5-methylpyridine-2-thiolate |
| 6-methyl-1-[2-(3-methyl)pyridyl]pyridinium-2-thiolate |
| CH2Cl2 |
| N |
| 2-dpds |
| Cu(I) |
| [Cu(μ-Cl)(μ-dpds)]n |
| chloride |
| 1H |
| 2-propanol |
| 2,2′-dipyridyldisulfide |
| [Cu(μ-Cl)(μ-ppt)]n |
| 1-(2-pyridyl)pyridinium-2-thiolate |
| [Cu(ppt)Cl]n |
| [Cu(TPTM)(CH3CN)]PF6 |
| 6-mpds |
| CH |
| (dpds)CuCl(μ-Cl)2CuCl(dpds) |
| BPTM |
| 13C |
| pyridine-2-thiol |
| CuX(tmpa) |
| CuBr2 |
| CuBr(TPTM) |
| toluene |
| 1-(2-Pyridyl)pyridinium-2-thiolate |
| C–S–S–C |
| CuCl2 |
| bis(pyridyl-2-thio)methane |
| N–C |
| silica |
| Cu–S |
| Ce(NH3)2(NO3)4 |
| [Cu(ppt)Br]n |
| sulfonate |
| tmpa = tris(pyridylmethyl)amine |
| TPTM |
| Cu(II)/Cu(III) |
| C11H10N2S2 |
| Cu(II)–C(sp3) |
| CH2 |
| CDCl3 |
| pyridinium |
| 3-nitrobenzyl alcohol |
| CuIICl2·2H2O |
| CH2Cl2–CH3CN |
| copper(II) |
| CuCl2·2H2O |
| pyridinenitrogen |
| chlorides |
| acetonitrile |
| [Cu(CH3CN)4]PF6 |
| CuIIBr2(dpds) |
| [CuCl2(dpds)]2 |
| copper(I) |
| Cu–Cl |
| bis(pyridylthio)methane |
| Cu–Br |
| [Cu(CH3CN)(TPTM)]2+ |
| Cu–N |
| tris(2-pyridylthio)methane |
| KCN |
| CH3 |
| S–S |
| 1-(2-pyridine)pyridiniumthiolate |
| bromides |
| S |
| Cu(III) |
| CHBr3 |
| ethers |
| JEOL |
| dichloromethane |
| Cl |
| tribromomethane |
| Cu(μ-X)(μ-ppt) |
| [CuCl2(μ-dpds)2]n |
| 3-mpds |
| nitrogen |
| [CuCl2(μ-dpds)2]2 |
| systems.Pyridine-2-thiol |
| Cu–N(py) |
| [Cu(TPTM)(CH3CN)]0/+/2+ |
| C11H10Cl2CuN2S2 |
| [Cu(CH3CN)(TPTM)]PF6 |
| C10H8N2SCuCl |
| Br(1)–Cu–N(1) |
| Cu(1) |
| 2,2′-bis(3-methylpyridine)disulfide |
| graphite |
| disulfide S–S |
| 2H |
| CHIRALCEL OD |
| disulfide |
| argon |
| CuBr |
| transpyridine N |
| Br(1)–Cu–N(1)* |
| CuBr2(dpds) |
| 1,2-propanediol |
| carbon |
| pyridyl |
| Cl(2) |
| [Cu(μ-Br)(μ-dpds)]n |
| C10H8N7SCuBr |
| diethyl ether |
| silica gel |
| Br–Cu–Br |
| 1H-6-methylpyridine-2-thione |
| oxygen |
| hydrogen |
| Ag/AgCl |
| TPTMH |
| 13C{1H} |
| C16H13N3S3 |
| Silica-gel |
| [Cu(Br)2(μ-BPTM)]n |
| pyridine-2-thiolate |
| Cu(I) halides |
| 5mpyt |
| halide |
| copper complex |
| C10H8N2S2CuBr2 |
| pyridylnitrogen |
| C20H16Br4Cu4N4S4·3CH2Cl2 |
| 2-bromo-3-methylpyridine |
| Br(1)–Cu–Br(1)* |
| C12H12N2S·0.1H2O |
| -blue |
| [CuBr(ppt)]n |
| bis(2-pyridylthio)methane |
| Cu(I)/Cu(II) |
| S–S–C–N |
| [Cu(TPTM)(CH3CN)]+ |
| N-confused porphyrins |
| Cu(μ-1-(2-pyridine)pyridiniumthiolato)(μ-Cl) |
| ligandsbis(2-pyridylthio)methane |
| CuIICl2 |
| CH3CN |
| pyridine thiolate |
| CuX(pmap) |
| 1-(2-pyridyl)pyridinium-2-thiol |
| Cl(1) |
| [Cu(μ-Br)(μ-dpds)]n6 |
| Sulfur |
| Pt(5-mpyt)2Pt |
| [CuCl2(BPTM)]n |
| 6,3-mppt |
| CuBr(dpds) |
| magnesium sulfate anhydride |
| [Cu(μ-Br)(μ-ppt)]n |
| 2,2′-bis(3-methylpyridyl)disulfide |
| C10H8N2S2CuBr |
| Cu2I4(BPTM)2 |
| Mercury |
| pyt |
| [Cu4Br4(dpds)2]n |
| Cl− |
| [CuX(TPTM)]0 |
| Copper |
| [Cu(μ-Br)(dpds)]2 |
| acetonitrile nitrogen |
| C18H15CuF6N4PS3 |
| ligandTris(2-pyridylthio)methane |
| bis(3-methyl-2-pyridine)disulfide |
| Cu(μ-Cl)(μ-dpds) |
| Cu–N(acetonitrile) |
| C16H12BrCuN3S3 |
| 3,3-mppt |
| thiolate |
| C–S |
| [CuI(μ-Cl)(μ-dpds)]n |
| ethanol |
| C10H8N2S2CuCl2 |
| Tris(2-pyridylthio)methane |
| 2,2′-bis(6-methylpyridine)disulfide |
| [Cu(NCMe)4]+ |
| [Cu(Cl)2(μ-BPTM)]n |
| CuICl |
| CuI |
| C20H16Br4Cu4N4S4·2CH2Cl2 |
| C22H20Cu4I4N4S4 |
| bis[2-(2-pyridyl)ethyl](2-pyridyl)methylamine |
| C11H10Br2CuN2S2 |
| glassy-carbon-disk |
| CuCl2 [CuCl2(BPTM)]n |
| C–N |
| pyridinium nitrogen |
| CuCl2(dpds) |
| C10H8N2S2CuCl |
| KBr |
| C⋯C |
| Methanol |
CDE v2 Output
[
{
"Document": {
"abbreviation_definitions": [
{
"abbreviation": "dpds",
"long_form": "2,2′-dipyridyldisulfide"
},
{
"abbreviation": "BPTM",
"long_form": "bis(2-pyridylthio)methane"
},
{
"abbreviation": "TPTMH",
"long_form": "tris(2-pyridylthio)methane"
},
{
"abbreviation": "pyt",
"long_form": "pyridine-2-thiolate"
},
{
"abbreviation": "5mpyt",
"long_form": "5-methylpyridine-2-thiolate"
},
{
"abbreviation": "ppt",
"long_form": "1-(2-pyridyl)pyridinium-2-thiolate"
},
{
"abbreviation": "BPTM",
"long_form": "bis(2-pyridylthio)methane"
},
{
"abbreviation": "4-py",
"long_form": "149.44 ( 6-py ) , 136.02"
},
{
"abbreviation": "5-py",
"long_form": "122.50 ( 3-py ) , 119.71"
},
{
"abbreviation": "TPTM",
"long_form": "Tris(2-pyridylthio)methane"
},
{
"abbreviation": "3-py",
"long_form": "136.31 ( 4-py ) , 122.20"
},
{
"abbreviation": "6,3-mppt",
"long_form": "6-methyl-1-[2-(3-methyl)pyridyl]pyridinium-2-thiolate"
},
{
"abbreviation": "3-mpds",
"long_form": "2,2′-bis(3-methylpyridyl)disulfide"
},
{
"abbreviation": "6-mpds",
"long_form": "2,2′-bis(6-methylpyridyl)disulfide"
},
{
"abbreviation": "dpds",
"long_form": "2,2′-dipyridyldisulfide"
},
{
"abbreviation": "ppt",
"long_form": "1-(2-pyridyl)pyridinium-2-thiolate"
},
{
"abbreviation": "ppt",
"long_form": "1-(2-pyridyl)pyridinium-2-thiolate"
},
{
"abbreviation": "6-mpds",
"long_form": "2,2′-bis(6-methylpyridine)disulfide"
},
{
"abbreviation": "3-mpds",
"long_form": "2,2′-bis(3-methylpyridine)disulfide"
},
{
"abbreviation": "3-mpds",
"long_form": "2,2′-bis(3-methylpyridyl)disulfide"
},
{
"abbreviation": "6-mpds",
"long_form": "2,2′-bis(6-methylpyridyl)disulfide"
},
{
"abbreviation": "6,3-mppt",
"long_form": "6-methyl-1-[2-(3-methyl)pyridyl]pyridinium-2-thiolate"
},
{
"abbreviation": "3-mpds",
"long_form": "2,2′-bis(3-methylpyridyl)disulfide"
},
{
"abbreviation": "6-mpds",
"long_form": "2,2′-bis(6-methylpyridyl)disulfide"
},
{
"abbreviation": "6,3-mppt",
"long_form": "6-methyl-1-[2-(3-methyl)pyridyl]pyridinium-2-thiolate"
},
{
"abbreviation": "6-mpds",
"long_form": "2,2′-bis(6-methylpyridyl)disulfide"
},
{
"abbreviation": "TPTMH",
"long_form": "the new ligandTris(2-pyridylthio)methane"
},
{
"abbreviation": "2-dpds",
"long_form": "2,2′-dipyridyldisulfide"
},
{
"abbreviation": "ppt",
"long_form": "1-(2-pyridyl)pyridinium-2-thiolate"
},
{
"abbreviation": "BPTM",
"long_form": "bis(2-pyridylthio)methane"
},
{
"abbreviation": "dpds",
"long_form": "2,2′-dipyridyldisulfide"
},
{
"abbreviation": "TPTMH",
"long_form": "tris(2-pyridylthio)methane"
}
],
"authors": [
"Isamu Kinoshita",
"L. James Wright",
"Sachiko Kubo",
"Kentaro Kimura",
"Akio Sakata",
"Toshihiro Yano",
"Riichi Miyamoto",
"Takanori Nishioka",
"Kiyoshi Isobe",
"Isamu Kinoshita",
"L. James Wright",
"Sachiko Kubo",
"Kentaro Kimura",
"Akio Sakata",
"Toshihiro Yano",
"Riichi Miyamoto",
"Takanori Nishioka",
"Kiyoshi Isobe"
],
"cems": [
"pyridine",
"Cu(II)",
"sulfur",
"[Cu(μ-Br){1-(2-pyridyl)pyridinium-2-thiolate}]n",
"copper",
"methanol",
"CuCl",
"MeOH",
"potassium cyanide",
"yellow precipitate",
"Br",
"H",
"Cu",
"[CuCl2(μ-dpds)]n",
"2,2′-bis(6-methylpyridyl)disulfide",
"CuCl2(μ-dpds)",
"KOH",
"dpds",
"sulfur",
"ppt",
"Cu–C",
"bromide",
"5-methylpyridine-2-thiolate",
"6-methyl-1-[2-(3-methyl)pyridyl]pyridinium-2-thiolate",
"CH2Cl2",
"sulfur",
"N",
"2-dpds",
"Cu(I)",
"[Cu(μ-Cl)(μ-dpds)]n",
"chloride",
"1H",
"yellow precipitate",
"2-propanol",
"H",
"2,2′-dipyridyldisulfide",
"[Cu(μ-Cl)(μ-ppt)]n",
"N",
"1-(2-pyridyl)pyridinium-2-thiolate",
"copper",
"[Cu(ppt)Cl]n",
"[Cu(TPTM)(CH3CN)]PF6",
"6-mpds",
"6-mpds",
"CH",
"Cu(II)",
"[Cu(TPTM)(CH3CN)]PF6",
"(dpds)CuCl(μ-Cl)2CuCl(dpds)",
"N",
"H",
"BPTM",
"13C",
"pyridine-2-thiol",
"CuX(tmpa)",
"[Cu(TPTM)(CH3CN)]PF6",
"[Cu(TPTM)(CH3CN)]PF6",
"CuBr2",
"CuBr(TPTM)",
"toluene",
"ppt",
"1-(2-Pyridyl)pyridinium-2-thiolate",
"2-propanol",
"C–S–S–C",
"CuCl2",
"N",
"bis(pyridyl-2-thio)methane",
"N",
"CH2Cl2",
"H",
"N–C",
"H",
"silica",
"Cu–S",
"Ce(NH3)2(NO3)4",
"Cu(II)",
"CH2Cl2",
"H",
"[Cu(ppt)Br]n",
"H",
"sulfonate",
"methanol",
"dpds",
"dpds",
"KOH",
"tmpa = tris(pyridylmethyl)amine",
"CH",
"TPTM",
"CuBr(TPTM)",
"Cu(II)/Cu(III)",
"C11H10N2S2",
"C–S–S–C",
"Cu(II)–C(sp3)",
"N",
"CH2",
"CDCl3",
"N",
"pyridinium",
"CH2Cl2",
"3-nitrobenzyl alcohol",
"CuIICl2·2H2O",
"CH2Cl2–CH3CN",
"copper(II)",
"CuCl2·2H2O",
"pyridinenitrogen",
"chlorides",
"CuCl2",
"dpds",
"acetonitrile",
"copper(II)",
"chloride",
"[Cu(CH3CN)4]PF6",
"CuIIBr2(dpds)",
"[CuCl2(dpds)]2",
"copper(I)",
"Cu(II)",
"Cu–Cl",
"bis(pyridylthio)methane",
"Cu–Br",
"[Cu(CH3CN)(TPTM)]2+",
"Cu–N",
"Cu",
"CuCl2·2H2O",
"sulfur",
"CuBr(TPTM)",
"tris(2-pyridylthio)methane",
"KCN",
"toluene",
"CuBr2",
"C–S–S–C",
"Cu",
"CH",
"CH2",
"CH3",
"Cu(II)",
"S–S",
"silica",
"methanol",
"methanol",
"dpds",
"1-(2-pyridine)pyridiniumthiolate",
"6-methyl-1-[2-(3-methyl)pyridyl]pyridinium-2-thiolate",
"pyridine",
"Cu(I)",
"BPTM",
"CuCl2",
"bromides",
"S",
"copper(I)",
"pyridine-2-thiol",
"Cu(III)",
"Cu(II)",
"dpds",
"H",
"H",
"N",
"H",
"H",
"Cu(II)",
"ppt",
"pyridine",
"Cu(I)",
"CHBr3",
"acetonitrile",
"S–S",
"CuCl2",
"ethers",
"JEOL",
"Cu",
"dichloromethane",
"dpds",
"bis(pyridyl-2-thio)methane",
"Cl",
"13C",
"copper",
"Cu(I)",
"CuBr2",
"6-mpds",
"H",
"tribromomethane",
"Cu(μ-X)(μ-ppt)",
"[CuCl2(μ-dpds)2]n",
"3-mpds",
"nitrogen",
"CuBr(TPTM)",
"methanol",
"[CuCl2(μ-dpds)2]2",
"systems.Pyridine-2-thiol",
"Cu(I)",
"Cu(II)",
"BPTM",
"Cu–N(py)",
"N",
"dpds",
"3-mpds",
"CDCl3",
"chloride",
"JEOL",
"[Cu(TPTM)(CH3CN)]0/+/2+",
"dpds",
"C11H10Cl2CuN2S2",
"methanol",
"pyridine",
"copper",
"[Cu(CH3CN)(TPTM)]PF6",
"H",
"C10H8N2SCuCl",
"pyridine",
"H",
"Br(1)–Cu–N(1)",
"Cu(1)",
"methanol",
"2,2′-bis(3-methylpyridine)disulfide",
"graphite",
"dpds",
"Cu(II)/Cu(III)",
"CH2Cl2",
"N",
"dpds",
"ppt",
"disulfide S–S",
"2H",
"methanol",
"2-dpds",
"dichloromethane",
"CHIRALCEL OD",
"disulfide",
"CH2Cl2–CH3CN",
"1H",
"1H",
"sulfur",
"CH2Cl2",
"Cu(II)",
"potassium cyanide",
"CH2Cl2",
"H",
"ppt",
"CH2Cl2",
"Cu",
"S–S",
"[CuCl2(dpds)]2",
"toluene",
"argon",
"CuBr2",
"H",
"chloride",
"Cu(I)",
"CuBr",
"H",
"H",
"transpyridine N",
"Br(1)–Cu–N(1)*",
"CuBr2(dpds)",
"dpds",
"[Cu(TPTM)(CH3CN)]PF6",
"6-mpds",
"6-mpds",
"pyridinenitrogen",
"BPTM",
"H",
"copper",
"copper",
"2,2′-dipyridyldisulfide",
"CH2Cl2–CH3CN",
"dpds",
"1,2-propanediol",
"carbon",
"CH",
"pyridyl",
"Cl(2)",
"BPTM",
"dpds",
"[CuCl2(μ-dpds)2]n",
"dichloromethane",
"[Cu(μ-Br)(μ-dpds)]n",
"methanol",
"1-(2-pyridyl)pyridinium-2-thiolate",
"1-(2-pyridyl)pyridinium-2-thiolate",
"acetonitrile",
"Cu(II)",
"CuX(tmpa)",
"acetonitrile",
"CH",
"sulfur",
"Ce(NH3)2(NO3)4",
"C10H8N7SCuBr",
"CuBr",
"acetonitrile",
"diethyl ether",
"CuCl2",
"Cl",
"dpds",
"silica gel",
"Cu(II)",
"H",
"sulfur",
"2H",
"CH",
"dpds",
"toluene",
"CDCl3",
"CDCl3",
"Br–Cu–Br",
"[Cu(μ-Br)(μ-dpds)]n",
"Cu–C",
"pyridinenitrogen",
"acetonitrile",
"H",
"CuCl",
"bromide",
"1H-6-methylpyridine-2-thione",
"methanol",
"methanol",
"oxygen",
"chloride",
"dpds",
"hydrogen",
"methanol",
"S–S",
"carbon",
"ppt",
"Cu–Br",
"Ag/AgCl",
"TPTMH",
"13C{1H}",
"3-mpds",
"ppt",
"C16H13N3S3",
"Silica-gel",
"H",
"Cu(II)",
"N",
"copper",
"[Cu(Br)2(μ-BPTM)]n",
"pyridine-2-thiolate",
"Cu(I)",
"[Cu(μ-Cl)(μ-dpds)]n",
"chloride",
"graphite",
"Cu–S",
"H",
"dichloromethane",
"H",
"TPTM",
"argon",
"copper",
"copper",
"Cu(I) halides",
"13C",
"Cu",
"CuBr2",
"CH2Cl2",
"2-propanol",
"1H",
"Cu(III)",
"oxygen",
"5mpyt",
"N",
"halide",
"copper complex",
"toluene",
"CH2Cl2",
"C10H8N2S2CuBr2",
"pyridylnitrogen",
"C20H16Br4Cu4N4S4·3CH2Cl2",
"dpds",
"potassium cyanide",
"CH3",
"Cu–Cl",
"oxygen",
"2-bromo-3-methylpyridine",
"Br(1)–Cu–Br(1)*",
"C12H12N2S·0.1H2O",
"-blue",
"[CuBr(ppt)]n",
"TPTM",
"H",
"acetonitrile",
"H",
"1H",
"bis(2-pyridylthio)methane",
"Cu(II)",
"Cu(I)/Cu(II)",
"dpds",
"chloride",
"dpds",
"copper",
"S–S–C–N",
"[Cu(TPTM)(CH3CN)]+",
"[Cu(CH3CN)(TPTM)]PF6",
"ppt",
"Cu(III)",
"CuBr2",
"diethyl ether",
"Cu",
"N-confused porphyrins",
"Cu(μ-1-(2-pyridine)pyridiniumthiolato)(μ-Cl)",
"bromide",
"oxygen",
"oxygen",
"ligandsbis(2-pyridylthio)methane",
"bromides",
"methanol",
"Cu(II)–C(sp3)",
"[Cu(TPTM)(CH3CN)]PF6",
"1-(2-pyridyl)pyridinium-2-thiolate",
"CuIICl2",
"copper(I)",
"Cu",
"sulfur",
"copper",
"pyridine-2-thiolate",
"dpds",
"dpds",
"dpds",
"CH3CN",
"oxygen",
"toluene",
"methanol",
"pyridine thiolate",
"methanol",
"Cu(II)",
"TPTMH",
"CH2Cl2",
"H",
"ppt",
"CuX(pmap)",
"1-(2-pyridyl)pyridinium-2-thiol",
"bis(pyridyl-2-thio)methane",
"Cu(I)",
"Cl(1)",
"Cu(I)/Cu(II)",
"CuCl2·2H2O",
"TPTM",
"copper",
"CH2Cl2",
"CH3",
"2-dpds",
"tris(2-pyridylthio)methane",
"N",
"pyridine",
"sulfur",
"pyridine-2-thiol",
"TPTMH",
"1-(2-pyridyl)pyridinium-2-thiol",
"Cu(II)",
"[Cu(μ-Br)(μ-dpds)]n6",
"acetonitrile",
"Cu(II)–C(sp3)",
"2,2′-dipyridyldisulfide",
"CuBr2(dpds)",
"[CuCl2(μ-dpds)2]n",
"N",
"Sulfur",
"CDCl3",
"Pt(5-mpyt)2Pt",
"[CuCl2(BPTM)]n",
"pyridine",
"dpds",
"6-mpds",
"6,3-mppt",
"CuCl2",
"CH3CN",
"CuBr(dpds)",
"CDCl3",
"copper",
"CH",
"CH",
"CH2Cl2–CH3CN",
"CH",
"CuBr(TPTM)",
"Cu–Br",
"N",
"C12H12N2S·0.1H2O",
"magnesium sulfate anhydride",
"[Cu(μ-Br)(μ-ppt)]n",
"methanol",
"1-(2-pyridyl)pyridinium-2-thiolate",
"pyridine-2-thiolate",
"sulfur",
"carbon",
"CH2Cl2",
"CuBr2",
"argon",
"2-propanol",
"methanol",
"[Cu(μ-Br)(μ-dpds)]n",
"2,2′-bis(3-methylpyridyl)disulfide",
"N",
"H",
"[Cu(μ-Br)(μ-dpds)]n",
"CH",
"N",
"dpds",
"C10H8N2S2CuBr",
"CuBr(TPTM)",
"Cu2I4(BPTM)2",
"Mercury",
"methanol",
"CuCl2·2H2O",
"CH2Cl2",
"pyt",
"TPTMH",
"disulfide",
"CH",
"CuCl2",
"dichloromethane",
"Cu(II)",
"Cu(II)",
"Cu(II)",
"2,2′-bis(6-methylpyridyl)disulfide",
"[Cu4Br4(dpds)2]n",
"CH2Cl2",
"H",
"BPTM",
"methanol",
"Cu",
"CuBr(TPTM)",
"BPTM",
"BPTM",
"Cl−",
"Cu",
"H",
"H",
"sulfur",
"sulfur",
"CH3CN",
"copper",
"[CuX(TPTM)]0",
"dpds",
"pyridylnitrogen",
"S–S",
"KOH",
"Cu(μ-X)(μ-ppt)",
"1H",
"pyridine-2-thiol",
"BPTM",
"2-dpds",
"Copper",
"2,2′-bis(3-methylpyridyl)disulfide",
"[Cu(μ-Br)(dpds)]2",
"[Cu(CH3CN)(TPTM)]PF6",
"[Cu(μ-Br)(dpds)]2",
"acetonitrile nitrogen",
"[Cu(TPTM)(CH3CN)]PF6",
"[CuCl2(μ-dpds)2]n",
"bis(2-pyridylthio)methane",
"13C",
"nitrogen",
"dpds",
"C18H15CuF6N4PS3",
"ligandTris(2-pyridylthio)methane",
"[Cu(μ-Cl)(μ-ppt)]n",
"bis(3-methyl-2-pyridine)disulfide",
"TPTMH",
"2-dpds",
"2,2′-bis(3-methylpyridyl)disulfide",
"TPTM",
"CH",
"hydrogen",
"Cu(μ-Cl)(μ-dpds)",
"CH2Cl2",
"H",
"N",
"N",
"CH",
"dpds",
"Cu",
"Br",
"chloride",
"carbon",
"acetonitrile",
"dpds",
"Cu–N(acetonitrile)",
"H",
"CuBr",
"C16H12BrCuN3S3",
"3,3-mppt",
"H",
"H",
"thiolate",
"CH3CN",
"dpds",
"2,2′-bis(6-methylpyridyl)disulfide",
"C–S",
"Cu",
"sulfur",
"silica",
"[CuI(μ-Cl)(μ-dpds)]n",
"3-mpds",
"N",
"Cl",
"H",
"H",
"acetonitrile",
"silica",
"ppt",
"H",
"[Cu(TPTM)(CH3CN)]PF6",
"oxygen",
"H",
"C–S",
"[Cu(CH3CN)4]PF6",
"TPTMH",
"toluene",
"Cu(1)",
"ethanol",
"copper",
"ppt",
"hydrogen",
"C10H8N2S2CuCl2",
"sulfur",
"2,2′-dipyridyldisulfide",
"pyridine-2-thiol",
"Cu(II)",
"N",
"Tris(2-pyridylthio)methane",
"2,2′-bis(6-methylpyridine)disulfide",
"dpds",
"pyridine",
"BPTM",
"CH2Cl2–CH3CN",
"[Cu(NCMe)4]+",
"[Cu(Cl)2(μ-BPTM)]n",
"CuICl",
"copper",
"CuI",
"BPTM",
"BPTM",
"C20H16Br4Cu4N4S4·2CH2Cl2",
"dpds",
"CDCl3",
"bis(2-pyridylthio)methane",
"3-mpds",
"Cu(II)",
"H",
"bromide",
"TPTMH",
"Cu(II)",
"2-dpds",
"C22H20Cu4I4N4S4",
"C10H8N2S2CuCl2",
"methanol",
"CHIRALCEL OD",
"CuBr",
"bis[2-(2-pyridyl)ethyl](2-pyridyl)methylamine",
"S–S",
"pyridine",
"C–S",
"CH3",
"disulfide",
"CuCl2",
"Cu(II)–C(sp3)",
"toluene",
"CH2Cl2",
"H",
"H",
"1H",
"C11H10Br2CuN2S2",
"CuBr2",
"glassy-carbon-disk",
"CuCl2\n[CuCl2(BPTM)]n",
"C10H8N2S2CuBr",
"CH3CN",
"methanol",
"[Cu(μ-Br)(dpds)]2",
"2H",
"copper",
"Cu",
"CuBr(TPTM)",
"C–N",
"[Cu(CH3CN)(TPTM)]PF6",
"CuBr2(dpds)",
"pyridinium nitrogen",
"Cu(I)",
"CuCl2(dpds)",
"C10H8N2S2CuCl",
"dpds",
"Cu(II)",
"KBr",
"N",
"CuBr(TPTM)",
"CH",
"pyt",
"disulfide",
"[CuCl2(μ-dpds)2]n",
"methanol",
"C⋯C",
"6-methyl-1-[2-(3-methyl)pyridyl]pyridinium-2-thiolate",
"sulfur",
"Cu(II)",
"pyridine-2-thiolate",
"sulfur",
"Cu–S",
"CuBr2",
"S–S",
"dichloromethane",
"Cu(I)",
"Methanol",
"dpds",
"TPTMH",
"[CuCl2(μ-dpds)2]n",
"[Cu(TPTM)(CH3CN)]PF6",
"Cl−",
"chloride",
"N",
"methanol",
"Sulfur",
"copper"
],
"copyright": "",
"definitions": [
{
"definition": "Akio Sakata",
"end": 17,
"specifier": "Toshihiro",
"start": 13,
"tokens": [
[
"Akio",
"NNP"
],
[
"Sakata",
"NNP"
],
[
",",
","
],
[
"Toshihiro",
"NNP"
]
]
},
{
"definition": "Riichi Miyamoto",
"end": 23,
"specifier": "Takanori",
"start": 19,
"tokens": [
[
"Riichi",
"NNP"
],
[
"Miyamoto",
"NNP"
],
[
",",
","
],
[
"Takanori",
"NNP"
]
]
},
{
"definition": "including",
"end": 25,
"specifier": "[CuCl2(μ-dpds)]",
"start": 23,
"tokens": [
[
"including",
"VBG"
],
[
"[CuCl2(μ-dpds)]",
"B-CM"
]
]
},
{
"definition": "betain - containing product",
"end": 16,
"specifier": "[Cu(μ-1-(2-pyridine)pyridiniumthiolato)(μ-Cl)]",
"start": 10,
"tokens": [
[
"betain",
"NN"
],
[
"-",
"HYPH"
],
[
"containing",
"VBG"
],
[
"product",
"NN"
],
[
",",
","
],
[
"[Cu(μ-1-(2-pyridine)pyridiniumthiolato)(μ-Cl)]",
"B-CM"
]
]
},
{
"definition": "complex",
"end": 25,
"specifier": "[Cu(CH3CN)(TPTM)]PF6",
"start": 23,
"tokens": [
[
"complex",
"JJ"
],
[
"[Cu(CH3CN)(TPTM)]PF6",
"B-CM"
]
]
},
{
"definition": "hexanuclear complex",
"end": 14,
"specifier": "[Cu(μ-pyt)]6",
"start": 10,
"tokens": [
[
"hexanuclear",
"JJ"
],
[
"complex",
"NN"
],
[
",",
","
],
[
"[Cu(μ-pyt)]6",
"NN"
]
]
},
{
"definition": "H-shaped cell",
"end": 6,
"specifier": "ϕ",
"start": 2,
"tokens": [
[
"H-shaped",
"JJ"
],
[
"cell",
"NN"
],
[
"(",
"-LRB-"
],
[
"ϕ",
"NN"
]
]
},
{
"definition": "H-shaped cell",
"end": 6,
"specifier": "ϕ",
"start": 2,
"tokens": [
[
"H-shaped",
"JJ"
],
[
"cell",
"NN"
],
[
"(",
"-LRB-"
],
[
"ϕ",
"NN"
]
]
},
{
"definition": "nm",
"end": 12,
"specifier": "ε",
"start": 9,
"tokens": [
[
"nm",
"NN"
],
[
"(",
"-LRB-"
],
[
"ε",
"NN"
]
]
},
{
"definition": "H-shaped cell",
"end": 37,
"specifier": "ϕ",
"start": 33,
"tokens": [
[
"H-shaped",
"JJ"
],
[
"cell",
"NN"
],
[
"(",
"-LRB-"
],
[
"ϕ",
"NN"
]
]
},
{
"definition": "H-shaped cell",
"end": 37,
"specifier": "ϕ",
"start": 33,
"tokens": [
[
"H-shaped",
"JJ"
],
[
"cell",
"NN"
],
[
"(",
"-LRB-"
],
[
"ϕ",
"NN"
]
]
},
{
"definition": "monochromated Cu-Kα radiation",
"end": 23,
"specifier": "λ",
"start": 18,
"tokens": [
[
"monochromated",
"JJ"
],
[
"Cu-Kα",
"NN"
],
[
"radiation",
"NN"
],
[
"(",
"-LRB-"
],
[
"λ",
"NN"
]
]
},
{
"definition": "Rigaku AFC-7S diffractometer using Mo-Kα radiation",
"end": 39,
"specifier": "λ",
"start": 31,
"tokens": [
[
"Rigaku",
"NNP"
],
[
"AFC-7S",
"NNP"
],
[
"diffractometer",
"NN"
],
[
"using",
"VBG"
],
[
"Mo-Kα",
"NN"
],
[
"radiation",
"NN"
],
[
"(",
"-LRB-"
],
[
"λ",
"NN"
]
]
},
{
"definition": "monochromated Mo-Kα radiation",
"end": 24,
"specifier": "λ",
"start": 19,
"tokens": [
[
"monochromated",
"JJ"
],
[
"Mo-Kα",
"NN"
],
[
"radiation",
"NN"
],
[
"(",
"-LRB-"
],
[
"λ",
"NN"
]
]
},
{
"definition": "- containing material",
"end": 12,
"specifier": "[CuI(μ-Cl)(μ-dpds)]n",
"start": 7,
"tokens": [
[
"-",
"HYPH"
],
[
"containing",
"VBG"
],
[
"material",
"NN"
],
[
",",
","
],
[
"[CuI(μ-Cl)(μ-dpds)]n",
"B-CM"
]
]
},
{
"definition": "formula",
"end": 8,
"specifier": "[Cu(μ-Br)(dpds)]2",
"start": 6,
"tokens": [
[
"formula",
"NN"
],
[
"[Cu(μ-Br)(dpds)]2",
"B-CM"
]
]
},
{
"definition": "congener",
"end": 29,
"specifier": "[Cu(μ-Cl)(dpds)]2",
"start": 26,
"tokens": [
[
"congener",
"NN"
],
[
",",
","
],
[
"[Cu(μ-Cl)(dpds)]2",
"NN"
]
]
},
{
"definition": "congener",
"end": 5,
"specifier": "[Cu(μ-Cl)(dpds)]2",
"start": 2,
"tokens": [
[
"congener",
"NN"
],
[
",",
","
],
[
"[Cu(μ-Cl)(dpds)]2",
"NN"
]
]
},
{
"definition": "interesting product",
"end": 6,
"specifier": "[Cu(TPTM)(CH3CN)]PF6",
"start": 2,
"tokens": [
[
"interesting",
"JJ"
],
[
"product",
"NN"
],
[
",",
","
],
[
"[Cu(TPTM)(CH3CN)]PF6",
"B-CM"
]
]
},
{
"definition": "related complex",
"end": 18,
"specifier": "[CuBr(TPTM)]",
"start": 14,
"tokens": [
[
"related",
"JJ"
],
[
"complex",
"NN"
],
[
",",
","
],
[
"[CuBr(TPTM)]",
"B-CM"
]
]
},
{
"definition": "interesting electrochemistry",
"end": 12,
"specifier": "Table",
"start": 8,
"tokens": [
[
"interesting",
"JJ"
],
[
"electrochemistry",
"NN"
],
[
"(",
"-LRB-"
],
[
"Table",
"NN"
]
]
},
{
"definition": "contrast",
"end": 4,
"specifier": "[CuBr(TPTM)]",
"start": 1,
"tokens": [
[
"contrast",
"NN"
],
[
",",
","
],
[
"[CuBr(TPTM)]",
"B-CM"
]
]
},
{
"definition": "result",
"end": 7,
"specifier": "[CuBr(TPTM)]",
"start": 4,
"tokens": [
[
"result",
"NN"
],
[
",",
","
],
[
"[CuBr(TPTM)]",
"B-CM"
]
]
},
{
"definition": "form",
"end": 27,
"specifier": "[CuX(TPTM)]0",
"start": 24,
"tokens": [
[
"form",
"NN"
],
[
",",
","
],
[
"[CuX(TPTM)]0",
"B-CM"
]
]
},
{
"definition": "nm",
"end": 13,
"specifier": "ε",
"start": 10,
"tokens": [
[
"nm",
"NN"
],
[
",",
","
],
[
"ε",
"NN"
]
]
},
{
"definition": "nm",
"end": 23,
"specifier": "ε",
"start": 20,
"tokens": [
[
"nm",
"NN"
],
[
",",
","
],
[
"ε",
"NN"
]
]
},
{
"definition": "nm",
"end": 36,
"specifier": "ε",
"start": 33,
"tokens": [
[
"nm",
"NN"
],
[
",",
","
],
[
"ε",
"NN"
]
]
},
{
"definition": "anionic",
"end": 66,
"specifier": "TPTM",
"start": 64,
"tokens": [
[
"anionic",
"JJ"
],
[
"TPTM",
"B-CM"
]
]
},
{
"definition": "nm",
"end": 9,
"specifier": "ε",
"start": 6,
"tokens": [
[
"nm",
"NN"
],
[
",",
","
],
[
"ε",
"NN"
]
]
},
{
"definition": "nm",
"end": 19,
"specifier": "ε",
"start": 16,
"tokens": [
[
"nm",
"NN"
],
[
",",
","
],
[
"ε",
"NN"
]
]
},
{
"definition": "nm",
"end": 30,
"specifier": "ε",
"start": 27,
"tokens": [
[
"nm",
"NN"
],
[
",",
","
],
[
"ε",
"NN"
]
]
},
{
"definition": "frozen glass",
"end": 14,
"specifier": "[Cu(TPTM)(CH3CN)]PF6",
"start": 10,
"tokens": [
[
"frozen",
"JJ"
],
[
"glass",
"NN"
],
[
"(",
"-LRB-"
],
[
"[Cu(TPTM)(CH3CN)]PF6",
"B-CM"
]
]
},
{
"definition": "dimeric complex",
"end": 18,
"specifier": "[Cu(μ-Br)(dpds)]2",
"start": 14,
"tokens": [
[
"dimeric",
"JJ"
],
[
"complex",
"NN"
],
[
",",
","
],
[
"[Cu(μ-Br)(dpds)]2",
"B-CM"
]
]
},
{
"definition": "different",
"end": 16,
"specifier": "BPTM",
"start": 14,
"tokens": [
[
"different",
"JJ"
],
[
"BPTM",
"B-CM"
]
]
},
{
"definition": "complex",
"end": 16,
"specifier": "[Cu(TPTM)(CH3CN)]PF6",
"start": 14,
"tokens": [
[
"complex",
"NN"
],
[
"[Cu(TPTM)(CH3CN)]PF6",
"B-CM"
]
]
},
{
"definition": "K. Johnson",
"end": 4,
"specifier": "ORTEP",
"start": 0,
"tokens": [
[
"K.",
"NNP"
],
[
"Johnson",
"NNP"
],
[
",",
","
],
[
"ORTEP",
"NNP"
]
]
},
{
"definition": "Oak Ridge",
"end": 32,
"specifier": "TN",
"start": 28,
"tokens": [
[
"Oak",
"NNP"
],
[
"Ridge",
"NNP"
],
[
",",
","
],
[
"TN",
"NNP"
]
]
}
],
"doi": "10.1039/b210420m",
"firstpage": "1993",
"html_url": "http://pubs.rsc.org/en/Content/ArticleLanding/2003/DT/B210420M",
"issue": "10",
"journal": "Dalton Transactions",
"lastpage": "2003",
"pages": "",
"pdf_url": "http://pubs.rsc.org/en/Content/ArticlePDF/2003/DT/B210420M",
"published_date": "2003-05-15",
"publisher": "Royal Society of Chemistry",
"title": "Design and synthesis of copper complexes of novel ligands based on the pyridine thiolate group",
"url": "",
"volume": "0"
},
"biblio": {
"filename": "33874dde-ef80-4155-8a7c-dbe7488cdc7e.html"
},
"figures": [
{
"caption": "",
"links": [
"http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/Articleimage/2003/DT/b210420m/b210420m-s1.gif"
]
},
{
"caption": "",
"links": [
"http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/Articleimage/2003/DT/b210420m/b210420m-s2.gif"
]
},
{
"caption": "",
"links": [
"http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/Articleimage/2003/DT/b210420m/b210420m-s3.gif"
]
},
{
"caption": "",
"links": [
"http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/Articleimage/2003/DT/b210420m/b210420m-s4.gif"
]
},
{
"caption": "Ligand abbreviations: 3-mpds = 2,2′-bis(3-methylpyridyl)disulfide; 6-mpds = 2,2′-bis(6-methylpyridyl)disulfide (6-mpds); 6,3-mppt = 6-methyl-1-[2-(3-methyl)pyridyl]pyridinium-2-thiolate.",
"links": [
"http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/Articleimage/2003/DT/b210420m/b210420m-s5.gif"
]
},
{
"caption": "CD spectra of resolved 6,3-mppt in 2-propanol.",
"links": [
"http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/Articleimage/2003/DT/b210420m/b210420m-f1.gif"
]
},
{
"caption": "",
"links": [
"http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/Articleimage/2003/DT/b210420m/b210420m-s6.gif"
]
},
{
"caption": "Cyclic voltammetry of [Cu(CH3CN)(TPTM)]PF6\n(thin line) and [CuBr(TPTM)]\n(thick line) in (a) CH2Cl2 and (b) CH3CN.",
"links": [
"http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/Articleimage/2003/DT/b210420m/b210420m-f2.gif"
]
},
{
"caption": "Absorption spectra of 14 in an electrolysis cell: (a) in CH2Cl2 before electrolysis (b) after electrolysis and measured in situ.",
"links": [
"http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/Articleimage/2003/DT/b210420m/b210420m-f3.gif"
]
},
{
"caption": "Frozen glass ESR spectrum of [Cu(CH3CN)(TPTM)]PF6 in CH3CN ∶ CH2Cl2\n∶ C3H7CN = 1 ∶ 1 ∶ 1.",
"links": [
"http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/Articleimage/2003/DT/b210420m/b210420m-f4.gif"
]
},
{
"caption": "ORTEP drawing of 1 with a view along the 31 axis in the P31 space group (upper) and a stereoscopic view of the helicate. Part of the pyridine rings are removed for clarity.",
"links": [
"http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/Articleimage/2003/DT/b210420m/b210420m-f5.gif"
]
},
{
"caption": "ORTEP drawing of 2, shown as a dimer.",
"links": [
"http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/Articleimage/2003/DT/b210420m/b210420m-f6.gif"
]
},
{
"caption": "ORTEP drawing of [CuBr2(dpds)]\n(3).",
"links": [
"http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/Articleimage/2003/DT/b210420m/b210420m-f7.gif"
]
},
{
"caption": "ORTEP drawing of 8 along with a schematic representation.",
"links": [
"http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/Articleimage/2003/DT/b210420m/b210420m-f8.gif"
]
},
{
"caption": "ORTEP drawing of ppt.",
"links": [
"http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/Articleimage/2003/DT/b210420m/b210420m-f9.gif"
]
},
{
"caption": "ORTEP drawing of 9.",
"links": [
"http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/Articleimage/2003/DT/b210420m/b210420m-f10.gif"
]
},
{
"caption": "ORTEP drawing of 14.",
"links": [
"http://pubs.rsc.org/services/images/RSCpubs.ePlatform.Service.FreeContent.ImageService.svc/ImageService/Articleimage/2003/DT/b210420m/b210420m-f11.gif"
]
}
],
"records": [
{
"Crystal": {
"cde2_method": "AutoTableParser",
"cde2_updated": false,
"cell_params": {
"UnitCell": {
"compound": {
"Compound": {
"labels": [
"1"
],
"names": [
"CuC10H8Cl2N2S2",
"[CuCl2(μ-dpds)2]n"
]
}
},
"space_group": {
"SpaceGroup": {
"compound": {
"Compound": {
"labels": [
"1"
],
"names": [
"CuC10H8Cl2N2S2",
"[CuCl2(μ-dpds)2]n"
]
}
},
"specifier": "Space group",
"symbol": "P31"
}
},
"specifier": "Crystal system",
"system": "Trigonal"
}
},
"compound": {
"Compound": {
"labels": [
"1"
],
"names": [
"CuC10H8Cl2N2S2",
"[CuCl2(μ-dpds)2]n"
],
"smiles": []
},
"elements": [
"C",
"H",
"Cl",
"S",
"N",
"Cu"
]
},
"diffraction_params": {
"DiffractionParams": {
"applied_temperature": {
"AppliedTemperature": {
"compound": {
"Compound": {
"labels": [
"1"
],
"names": [
"CuC10H8Cl2N2S2",
"[CuCl2(μ-dpds)2]n"
]
}
},
"raw_units": "K",
"raw_value": "296.2",
"specifier": "T",
"units": "Kelvin^(1.0)",
"value": [
296.2
]
}
},
"compound": {
"Compound": {
"labels": [
"1"
],
"names": [
"CuC10H8Cl2N2S2",
"[CuCl2(μ-dpds)2]n"
]
}
},
"specifier": "Crystal system",
"structure_factor": {
"F": {
"compound": {
"Compound": {
"labels": [
"1"
],
"names": [
"CuC10H8Cl2N2S2",
"[CuCl2(μ-dpds)2]n"
]
}
},
"raw_value": "531.00",
"specifier": "F(000)",
"value": [
531.0
]
}
}
}
},
"formula_weight_no_dim": {
"FormulaWeightNoDim": {
"compound": {
"Compound": {
"labels": [
"1"
],
"names": [
"CuC10H8Cl2N2S2",
"[CuCl2(μ-dpds)2]n"
]
}
},
"raw_value": "354.76",
"specifier": "M",
"value": [
354.76
]
}
},
"specifier": "system"
}
},
{
"Crystal": {
"cde2_method": "AutoTableParser",
"cde2_updated": false,
"cell_params": {
"UnitCell": {
"compound": {
"Compound": {
"labels": [
"2"
],
"names": [
"Cu2C20H16Cl4N4S4",
"[CuCl2(dpds)]2"
]
}
},
"space_group": {
"SpaceGroup": {
"compound": {
"Compound": {
"labels": [
"2"
],
"names": [
"Cu2C20H16Cl4N4S4",
"[CuCl2(dpds)]2"
]
}
},
"specifier": "Space group",
"symbol": "P1̄"
}
},
"specifier": "Crystal system",
"system": "Triclinic"
}
},
"compound": {
"Compound": {
"labels": [
"2"
],
"names": [
"Cu2C20H16Cl4N4S4",
"[CuCl2(dpds)]2"
],
"smiles": []
},
"elements": [
"C",
"H",
"Cl",
"S",
"N",
"Cu"
]
},
"diffraction_params": {
"DiffractionParams": {
"applied_temperature": {
"AppliedTemperature": {
"compound": {
"Compound": {
"labels": [
"2"
],
"names": [
"Cu2C20H16Cl4N4S4",
"[CuCl2(dpds)]2"
]
}
},
"raw_units": "K",
"raw_value": "296.2",
"specifier": "T",
"units": "Kelvin^(1.0)",
"value": [
296.2
]
}
},
"compound": {
"Compound": {
"labels": [
"2"
],
"names": [
"Cu2C20H16Cl4N4S4",
"[CuCl2(dpds)]2"
]
}
},
"specifier": "Crystal system",
"structure_factor": {
"F": {
"compound": {
"Compound": {
"labels": [
"2"
],
"names": [
"Cu2C20H16Cl4N4S4",
"[CuCl2(dpds)]2"
]
}
},
"raw_value": "354.00",
"specifier": "F(000)",
"value": [
354.0
]
}
}
}
},
"formula_weight_no_dim": {
"FormulaWeightNoDim": {
"compound": {
"Compound": {
"labels": [
"2"
],
"names": [
"Cu2C20H16Cl4N4S4",
"[CuCl2(dpds)]2"
]
}
},
"raw_value": "709.52",
"specifier": "M",
"value": [
709.52
]
}
},
"specifier": "system"
}
},
{
"Crystal": {
"cde2_method": "AutoTableParser",
"cde2_updated": false,
"cell_params": {
"UnitCell": {
"compound": {
"Compound": {
"labels": [
"3"
],
"names": [
",",
"CuC10H8Br2N2S2"
],
"roles": [
"complex"
]
}
},
"space_group": {
"SpaceGroup": {
"compound": {
"Compound": {
"labels": [
"3"
],
"names": [
",",
"CuC10H8Br2N2S2"
],
"roles": [
"complex"
]
}
},
"specifier": "Space group",
"symbol": "C2/c"
}
},
"specifier": "Crystal system",
"system": "Monoclinic"
}
},
"compound": {
"Compound": {
"labels": [
"3"
],
"names": [
",",
"CuC10H8Br2N2S2"
],
"roles": [
"complex"
],
"smiles": []
},
"elements": [
"C",
"H",
"Br",
"S",
"N",
"Cu"
]
},
"diffraction_params": {
"DiffractionParams": {
"applied_temperature": {
"AppliedTemperature": {
"compound": {
"Compound": {
"labels": [
"3"
],
"names": [
",",
"CuC10H8Br2N2S2"
],
"roles": [
"complex"
]
}
},
"raw_units": "K",
"raw_value": "296.2",
"specifier": "T",
"units": "Kelvin^(1.0)",
"value": [
296.2
]
}
},
"compound": {
"Compound": {
"labels": [
"3"
],
"names": [
",",
"CuC10H8Br2N2S2"
],
"roles": [
"complex"
]
}
},
"specifier": "Crystal system",
"structure_factor": {
"F": {
"compound": {
"Compound": {
"labels": [
"3"
],
"names": [
",",
"CuC10H8Br2N2S2"
],
"roles": [
"complex"
]
}
},
"raw_value": "852.00",
"specifier": "F(000)",
"value": [
852.0
]
}
}
}
},
"formula_weight_no_dim": {
"FormulaWeightNoDim": {
"compound": {
"Compound": {
"labels": [
"3"
],
"names": [
",",
"CuC10H8Br2N2S2"
],
"roles": [
"complex"
]
}
},
"raw_value": "443.66",
"specifier": "M",
"value": [
443.66
]
}
},
"specifier": "system"
}
},
{
"Crystal": {
"cde2_method": "AutoTableParser",
"cde2_updated": false,
"cell_params": {
"UnitCell": {
"compound": {
"Compound": {
"labels": [
"4"
],
"names": [
"CuC10H8ClN2S2",
"[CuI(μ-Cl)(μ-dpds)]n"
]
}
},
"space_group": {
"SpaceGroup": {
"compound": {
"Compound": {
"labels": [
"4"
],
"names": [
"CuC10H8ClN2S2",
"[CuI(μ-Cl)(μ-dpds)]n"
]
}
},
"specifier": "Space group",
"symbol": "P21/n"
}
},
"specifier": "Crystal system",
"system": "Monoclinic"
}
},
"compound": {
"Compound": {
"labels": [
"4"
],
"names": [
"CuC10H8ClN2S2",
"[CuI(μ-Cl)(μ-dpds)]n"
],
"smiles": []
},
"elements": [
"C",
"I",
"H",
"Cl",
"S",
"N",
"Cu"
]
},
"diffraction_params": {
"DiffractionParams": {
"applied_temperature": {
"AppliedTemperature": {
"compound": {
"Compound": {
"labels": [
"4"
],
"names": [
"CuC10H8ClN2S2",
"[CuI(μ-Cl)(μ-dpds)]n"
]
}
},
"raw_units": "K",
"raw_value": "296.2",
"specifier": "T",
"units": "Kelvin^(1.0)",
"value": [
296.2
]
}
},
"compound": {
"Compound": {
"labels": [
"4"
],
"names": [
"CuC10H8ClN2S2",
"[CuI(μ-Cl)(μ-dpds)]n"
]
}
},
"specifier": "Crystal system",
"structure_factor": {
"F": {
"compound": {
"Compound": {
"labels": [
"4"
],
"names": [
"CuC10H8ClN2S2",
"[CuI(μ-Cl)(μ-dpds)]n"
]
}
},
"raw_value": "640.00",
"specifier": "F(000)",
"value": [
640.0
]
}
}
}
},
"formula_weight_no_dim": {
"FormulaWeightNoDim": {
"compound": {
"Compound": {
"labels": [
"4"
],
"names": [
"CuC10H8ClN2S2",
"[CuI(μ-Cl)(μ-dpds)]n"
]
}
},
"raw_value": "319.31",
"specifier": "M",
"value": [
319.31
]
}
},
"specifier": "system"
}
},
{
"Crystal": {
"cde2_method": "AutoTableParser",
"cde2_updated": false,
"cell_params": {
"UnitCell": {
"compound": {
"Compound": {
"labels": [
"8"
],
"names": [
"CuC10H8BrN2S",
"[Cu(ppt)Br]n"
]
}
},
"space_group": {
"SpaceGroup": {
"compound": {
"Compound": {
"labels": [
"8"
],
"names": [
"CuC10H8BrN2S",
"[Cu(ppt)Br]n"
]
}
},
"specifier": "Space group",
"symbol": "P1̄"
}
},
"specifier": "Crystal system",
"system": "Triclinic"
}
},
"compound": {
"Compound": {
"labels": [
"8"
],
"names": [
"CuC10H8BrN2S",
"[Cu(ppt)Br]n"
],
"smiles": []
},
"elements": [
"C",
"H",
"Br",
"S",
"N",
"Cu"
]
},
"diffraction_params": {
"DiffractionParams": {
"applied_temperature": {
"AppliedTemperature": {
"compound": {
"Compound": {
"labels": [
"8"
],
"names": [
"CuC10H8BrN2S",
"[Cu(ppt)Br]n"
]
}
},
"raw_units": "K",
"raw_value": "296.2",
"specifier": "T",
"units": "Kelvin^(1.0)",
"value": [
296.2
]
}
},
"compound": {
"Compound": {
"labels": [
"8"
],
"names": [
"CuC10H8BrN2S",
"[Cu(ppt)Br]n"
]
}
},
"specifier": "Crystal system",
"structure_factor": {
"F": {
"compound": {
"Compound": {
"labels": [
"8"
],
"names": [
"CuC10H8BrN2S",
"[Cu(ppt)Br]n"
]
}
},
"raw_value": "324.00",
"specifier": "F(000)",
"value": [
324.0
]
}
}
}
},
"formula_weight_no_dim": {
"FormulaWeightNoDim": {
"compound": {
"Compound": {
"labels": [
"8"
],
"names": [
"CuC10H8BrN2S",
"[Cu(ppt)Br]n"
]
}
},
"raw_value": "331.70",
"specifier": "M",
"value": [
331.7
]
}
},
"specifier": "system"
}
},
{
"Crystal": {
"cde2_method": "AutoTableParser",
"cde2_updated": false,
"cell_params": {
"UnitCell": {
"compound": {
"Compound": {
"labels": [
"I",
"R1"
]
}
},
"space_group": {
"SpaceGroup": {
"compound": {
"Compound": {
"labels": [
"I",
"R1"
]
}
},
"specifier": "Space group",
"symbol": "P21"
}
},
"specifier": "Crystal system",
"system": "Monoclinic"
}
},
"compound": {
"Compound": {
"labels": [
"I",
"R1"
],
"smiles": []
}
},
"diffraction_params": {
"DiffractionParams": {
"applied_temperature": {
"AppliedTemperature": {
"compound": {
"Compound": {
"labels": [
"I",
"R1"
]
}
},
"raw_units": "K",
"raw_value": "296.2",
"specifier": "T",
"units": "Kelvin^(1.0)",
"value": [
296.2
]
}
},
"compound": {
"Compound": {
"labels": [
"I",
"R1"
]
}
},
"specifier": "Crystal system",
"structure_factor": {
"F": {
"compound": {
"Compound": {
"labels": [
"I",
"R1"
]
}
},
"raw_value": "196.00",
"specifier": "F(000)",
"value": [
196.0
]
}
}
}
},
"formula_weight_no_dim": {
"FormulaWeightNoDim": {
"compound": {
"Compound": {
"labels": [
"I",
"R1"
]
}
},
"raw_value": "188.25",
"specifier": "M",
"value": [
188.25
]
}
},
"specifier": "system"
}
},
{
"Crystal": {
"cde2_method": "AutoTableParser",
"cde2_updated": false,
"cell_params": {
"UnitCell": {
"compound": {
"Compound": {
"labels": [
"9"
],
"names": [
"CuC11H10Cl2N2S2",
"[CuCl2(BPTM)]n"
]
}
},
"space_group": {
"SpaceGroup": {
"compound": {
"Compound": {
"labels": [
"9"
],
"names": [
"CuC11H10Cl2N2S2",
"[CuCl2(BPTM)]n"
]
}
},
"specifier": "Space group",
"symbol": "P21/n"
}
},
"specifier": "Crystal system",
"system": "Monoclinic"
}
},
"compound": {
"Compound": {
"labels": [
"9"
],
"names": [
"CuC11H10Cl2N2S2",
"[CuCl2(BPTM)]n"
],
"smiles": []
},
"elements": [
"C",
"H",
"Cl",
"S",
"N",
"Cu",
"P",
"B"
]
},
"diffraction_params": {
"DiffractionParams": {
"applied_temperature": {
"AppliedTemperature": {
"compound": {
"Compound": {
"labels": [
"9"
],
"names": [
"CuC11H10Cl2N2S2",
"[CuCl2(BPTM)]n"
]
}
},
"raw_units": "K",
"raw_value": "296.2",
"specifier": "T",
"units": "Kelvin^(1.0)",
"value": [
296.2
]
}
},
"compound": {
"Compound": {
"labels": [
"9"
],
"names": [
"CuC11H10Cl2N2S2",
"[CuCl2(BPTM)]n"
]
}
},
"specifier": "Crystal system",
"structure_factor": {
"F": {
"compound": {
"Compound": {
"labels": [
"9"
],
"names": [
"CuC11H10Cl2N2S2",
"[CuCl2(BPTM)]n"
]
}
},
"raw_value": "740.00",
"specifier": "F(000)",
"value": [
740.0
]
}
}
}
},
"formula_weight_no_dim": {
"FormulaWeightNoDim": {
"compound": {
"Compound": {
"labels": [
"9"
],
"names": [
"CuC11H10Cl2N2S2",
"[CuCl2(BPTM)]n"
]
}
},
"raw_value": "368.79",
"specifier": "M",
"value": [
368.79
]
}
},
"specifier": "system"
}
},
{
"Crystal": {
"cde2_method": "AutoTableParser",
"cde2_updated": false,
"cell_params": {
"UnitCell": {
"compound": {
"Compound": {
"labels": [
"14"
],
"names": [
"CuC18H15F6N4PS3",
"[Cu(TPTM)(CH3CN)]PF6"
]
}
},
"space_group": {
"SpaceGroup": {
"compound": {
"Compound": {
"labels": [
"14"
],
"names": [
"CuC18H15F6N4PS3",
"[Cu(TPTM)(CH3CN)]PF6"
]
}
},
"specifier": "Space group",
"symbol": "P21/a"
}
},
"specifier": "Crystal system",
"system": "Monoclinic"
}
},
"compound": {
"Compound": {
"labels": [
"14"
],
"names": [
"CuC18H15F6N4PS3",
"[Cu(TPTM)(CH3CN)]PF6"
],
"smiles": []
},
"elements": [
"C",
"F",
"H",
"S",
"N",
"Cu",
"P"
]
},
"diffraction_params": {
"DiffractionParams": {
"applied_temperature": {
"AppliedTemperature": {
"compound": {
"Compound": {
"labels": [
"14"
],
"names": [
"CuC18H15F6N4PS3",
"[Cu(TPTM)(CH3CN)]PF6"
]
}
},
"raw_units": "K",
"raw_value": "296.2",
"specifier": "T",
"units": "Kelvin^(1.0)",
"value": [
296.2
]
}
},
"compound": {
"Compound": {
"labels": [
"14"
],
"names": [
"CuC18H15F6N4PS3",
"[Cu(TPTM)(CH3CN)]PF6"
]
}
},
"specifier": "Crystal system",
"structure_factor": {
"F": {
"compound": {
"Compound": {
"labels": [
"14"
],
"names": [
"CuC18H15F6N4PS3",
"[Cu(TPTM)(CH3CN)]PF6"
]
}
},
"raw_value": "1188.00",
"specifier": "F(000)",
"value": [
1188.0
]
}
}
}
},
"formula_weight_no_dim": {
"FormulaWeightNoDim": {
"compound": {
"Compound": {
"labels": [
"14"
],
"names": [
"CuC18H15F6N4PS3",
"[Cu(TPTM)(CH3CN)]PF6"
]
}
},
"raw_value": "592.03",
"specifier": "M",
"value": [
592.03
]
}
},
"specifier": "system"
}
},
{
"Crystal": {
"cde2_method": "AutoTableParser",
"cde2_updated": false,
"cell_params": {
"UnitCell": {
"compound": {
"Compound": {
"labels": [
"I",
"R1"
]
}
},
"space_group": {
"SpaceGroup": {
"compound": {
"Compound": {
"labels": [
"I",
"R1"
]
}
},
"specifier": "Space group",
"symbol": "P21"
}
},
"specifier": "Crystal system",
"system": "Monoclinic"
}
},
"compound": {
"Compound": {
"labels": [
"I",
"R1"
],
"smiles": []
}
},
"diffraction_params": {
"DiffractionParams": {
"compound": {
"Compound": {
"labels": [
"I",
"R1"
]
}
},
"specifier": "Space group",
"structure_factor": {
"F": {
"compound": {
"Compound": {
"labels": [
"I",
"R1"
]
}
},
"raw_value": "196.00",
"specifier": "F(000)",
"value": [
196.0
]
}
}
}
},
"formula_weight_no_dim": {
"FormulaWeightNoDim": {
"compound": {
"Compound": {
"labels": [
"I",
"R1"
]
}
},
"raw_value": "188.25",
"specifier": "M",
"value": [
188.25
]
}
},
"specifier": "Space group"
}
}
],
"tables": [
{
"caption": "Table 1 Crystallographic data for 1–4, 8, 9 and ppt",
"heading": 0,
"tde_raw_table": [
[
"Compound",
"1",
"2",
"3",
"4",
"8",
"ppt",
"9",
"14"
],
[
"T/K",
"296.2",
"296.2",
"296.2",
"296.2",
"296.2",
"296.2",
"296.2",
"296.2"
],
[
"Formula",
"CuC10H8Cl2N2S2",
"Cu2C20H16Cl4N4S4",
"CuC10H8Br2N2S2",
"CuC10H8ClN2S2",
"CuC10H8BrN2S",
"C10H8N2S",
"CuC11H10Cl2N2S2",
"CuC18H15F6N4PS3"
],
[
"M",
"354.76",
"709.52",
"443.66",
"319.31",
"331.70",
"188.25",
"368.79",
"592.03"
],
[
"Crystal system",
"Trigonal",
"Triclinic",
"Monoclinic",
"Monoclinic",
"Triclinic",
"Monoclinic",
"Monoclinic",
"Monoclinic"
],
[
"Space group",
"P31\n(no. 144)",
"P1̄\n(no. 2)",
"C2/c\n(no. 15)",
"P21/n (no. 14)",
"P1̄\n(no. 2)",
"P21\n(no. 4)",
"P21/n\n(no. 14)",
"P21/a (no. 14)"
],
[
"a/Å",
"8.3704(9)",
"7.530(1)",
"13.241(2)",
"7.933(3)",
"7.655(1)",
"6.655(1)",
"12.476(1)",
"14.414(2)"
],
[
"b/Å",
"8.3704(9)",
"8.2269(9)",
"7.499(1)",
"15.061(2)",
"8.821(1)",
"6.641(2)",
"8.4932(9)",
"10.132(2)"
],
[
"c/Å",
"16.774(2)",
"11.618(1)",
"14.093(1)",
"10.383(2)",
"9.4081(9)",
"10.4614(7)",
"13.1982(8)",
"15.605(2)"
],
[
"α/°",
"90",
"87.87(1)",
"90",
"90",
"72.237(9)",
"90",
"90",
"90"
],
[
"β/°",
"90",
"73.02(1)",
"102.203(9)",
"112.43(2)",
"72.262(9)",
"90.288(8)",
"99.004(6)",
"91.534(4)"
],
[
"γ/°",
"120",
"71.86(1)",
"90",
"90",
"67.494(10)",
"90",
"90",
"90"
],
[
"U/Å3",
"1017.8(2)",
"653.0(2)",
"1367.7(3)",
"1146.6(4)",
"546.0(1)",
"456.3(1)",
"1381.3(2)",
"2278.4(6)"
],
[
"Z",
"3",
"2",
"1",
"4",
"2",
"2",
"4",
"4"
],
[
"μ(Mo-Kα)/mm−1",
"8.586",
"2.376",
"7.740",
"2.470",
"5.825",
"0.303",
"2.250",
"1.368"
],
[
"F(000)",
"531.00",
"354.00",
"852.00",
"640.00",
"324.00",
"196.00",
"740.00",
"1188.00"
],
[
"Data collected",
"2352",
"4059",
"2233",
"3686",
"3374",
"3104",
"4461",
"22495"
],
[
"Unique data (Rint)",
"2016 (0.018)",
"3812 (0.007)",
"2004 (0.018)",
"3338 (0.018)",
"3184 (0.007)",
"2663 (0.016)",
"4027 (0.032)",
"5117 (0.040)"
],
[
"Observed data [I \u003e 2σ(I)]",
"2003",
"3310",
"1555",
"2440",
"2587",
"2433",
"2588",
"3700"
],
[
"Final R1\n[I \u003e 2σ(I)]",
"0.0306",
"0.0244",
"0.0290",
"0.0312",
"0.0303",
"0.0286",
"0.0396",
"0.0415"
],
[
"wR2",
"0.0857",
"0.0631",
"0.0700",
"0.0687",
"0.0737",
"0.0828",
"0.0978",
"0.1054"
]
],
"tde_table": [
[
"296.2",
[
"T/K"
],
[
"1"
]
],
[
"296.2",
[
"T/K"
],
[
"2"
]
],
[
"296.2",
[
"T/K"
],
[
"3"
]
],
[
"296.2",
[
"T/K"
],
[
"4"
]
],
[
"296.2",
[
"T/K"
],
[
"8"
]
],
[
"296.2",
[
"T/K"
],
[
"ppt"
]
],
[
"296.2",
[
"T/K"
],
[
"9"
]
],
[
"296.2",
[
"T/K"
],
[
"14"
]
],
[
"CuC10H8Cl2N2S2",
[
"Formula"
],
[
"1"
]
],
[
"Cu2C20H16Cl4N4S4",
[
"Formula"
],
[
"2"
]
],
[
"CuC10H8Br2N2S2",
[
"Formula"
],
[
"3"
]
],
[
"CuC10H8ClN2S2",
[
"Formula"
],
[
"4"
]
],
[
"CuC10H8BrN2S",
[
"Formula"
],
[
"8"
]
],
[
"C10H8N2S",
[
"Formula"
],
[
"ppt"
]
],
[
"CuC11H10Cl2N2S2",
[
"Formula"
],
[
"9"
]
],
[
"CuC18H15F6N4PS3",
[
"Formula"
],
[
"14"
]
],
[
"354.76",
[
"M"
],
[
"1"
]
],
[
"709.52",
[
"M"
],
[
"2"
]
],
[
"443.66",
[
"M"
],
[
"3"
]
],
[
"319.31",
[
"M"
],
[
"4"
]
],
[
"331.70",
[
"M"
],
[
"8"
]
],
[
"188.25",
[
"M"
],
[
"ppt"
]
],
[
"368.79",
[
"M"
],
[
"9"
]
],
[
"592.03",
[
"M"
],
[
"14"
]
],
[
"Trigonal",
[
"Crystal system"
],
[
"1"
]
],
[
"Triclinic",
[
"Crystal system"
],
[
"2"
]
],
[
"Monoclinic",
[
"Crystal system"
],
[
"3"
]
],
[
"Monoclinic",
[
"Crystal system"
],
[
"4"
]
],
[
"Triclinic",
[
"Crystal system"
],
[
"8"
]
],
[
"Monoclinic",
[
"Crystal system"
],
[
"ppt"
]
],
[
"Monoclinic",
[
"Crystal system"
],
[
"9"
]
],
[
"Monoclinic",
[
"Crystal system"
],
[
"14"
]
],
[
"P31\n(no. 144)",
[
"Space group"
],
[
"1"
]
],
[
"P1̄\n(no. 2)",
[
"Space group"
],
[
"2"
]
],
[
"C2/c\n(no. 15)",
[
"Space group"
],
[
"3"
]
],
[
"P21/n (no. 14)",
[
"Space group"
],
[
"4"
]
],
[
"P1̄\n(no. 2)",
[
"Space group"
],
[
"8"
]
],
[
"P21\n(no. 4)",
[
"Space group"
],
[
"ppt"
]
],
[
"P21/n\n(no. 14)",
[
"Space group"
],
[
"9"
]
],
[
"P21/a (no. 14)",
[
"Space group"
],
[
"14"
]
],
[
"8.3704(9)",
[
"a/Å"
],
[
"1"
]
],
[
"7.530(1)",
[
"a/Å"
],
[
"2"
]
],
[
"13.241(2)",
[
"a/Å"
],
[
"3"
]
],
[
"7.933(3)",
[
"a/Å"
],
[
"4"
]
],
[
"7.655(1)",
[
"a/Å"
],
[
"8"
]
],
[
"6.655(1)",
[
"a/Å"
],
[
"ppt"
]
],
[
"12.476(1)",
[
"a/Å"
],
[
"9"
]
],
[
"14.414(2)",
[
"a/Å"
],
[
"14"
]
],
[
"8.3704(9)",
[
"b/Å"
],
[
"1"
]
],
[
"8.2269(9)",
[
"b/Å"
],
[
"2"
]
],
[
"7.499(1)",
[
"b/Å"
],
[
"3"
]
],
[
"15.061(2)",
[
"b/Å"
],
[
"4"
]
],
[
"8.821(1)",
[
"b/Å"
],
[
"8"
]
],
[
"6.641(2)",
[
"b/Å"
],
[
"ppt"
]
],
[
"8.4932(9)",
[
"b/Å"
],
[
"9"
]
],
[
"10.132(2)",
[
"b/Å"
],
[
"14"
]
],
[
"16.774(2)",
[
"c/Å"
],
[
"1"
]
],
[
"11.618(1)",
[
"c/Å"
],
[
"2"
]
],
[
"14.093(1)",
[
"c/Å"
],
[
"3"
]
],
[
"10.383(2)",
[
"c/Å"
],
[
"4"
]
],
[
"9.4081(9)",
[
"c/Å"
],
[
"8"
]
],
[
"10.4614(7)",
[
"c/Å"
],
[
"ppt"
]
],
[
"13.1982(8)",
[
"c/Å"
],
[
"9"
]
],
[
"15.605(2)",
[
"c/Å"
],
[
"14"
]
],
[
"90",
[
"α/°"
],
[
"1"
]
],
[
"87.87(1)",
[
"α/°"
],
[
"2"
]
],
[
"90",
[
"α/°"
],
[
"3"
]
],
[
"90",
[
"α/°"
],
[
"4"
]
],
[
"72.237(9)",
[
"α/°"
],
[
"8"
]
],
[
"90",
[
"α/°"
],
[
"ppt"
]
],
[
"90",
[
"α/°"
],
[
"9"
]
],
[
"90",
[
"α/°"
],
[
"14"
]
],
[
"90",
[
"β/°"
],
[
"1"
]
],
[
"73.02(1)",
[
"β/°"
],
[
"2"
]
],
[
"102.203(9)",
[
"β/°"
],
[
"3"
]
],
[
"112.43(2)",
[
"β/°"
],
[
"4"
]
],
[
"72.262(9)",
[
"β/°"
],
[
"8"
]
],
[
"90.288(8)",
[
"β/°"
],
[
"ppt"
]
],
[
"99.004(6)",
[
"β/°"
],
[
"9"
]
],
[
"91.534(4)",
[
"β/°"
],
[
"14"
]
],
[
"120",
[
"γ/°"
],
[
"1"
]
],
[
"71.86(1)",
[
"γ/°"
],
[
"2"
]
],
[
"90",
[
"γ/°"
],
[
"3"
]
],
[
"90",
[
"γ/°"
],
[
"4"
]
],
[
"67.494(10)",
[
"γ/°"
],
[
"8"
]
],
[
"90",
[
"γ/°"
],
[
"ppt"
]
],
[
"90",
[
"γ/°"
],
[
"9"
]
],
[
"90",
[
"γ/°"
],
[
"14"
]
],
[
"1017.8(2)",
[
"U/Å3"
],
[
"1"
]
],
[
"653.0(2)",
[
"U/Å3"
],
[
"2"
]
],
[
"1367.7(3)",
[
"U/Å3"
],
[
"3"
]
],
[
"1146.6(4)",
[
"U/Å3"
],
[
"4"
]
],
[
"546.0(1)",
[
"U/Å3"
],
[
"8"
]
],
[
"456.3(1)",
[
"U/Å3"
],
[
"ppt"
]
],
[
"1381.3(2)",
[
"U/Å3"
],
[
"9"
]
],
[
"2278.4(6)",
[
"U/Å3"
],
[
"14"
]
],
[
"3",
[
"Z"
],
[
"1"
]
],
[
"2",
[
"Z"
],
[
"2"
]
],
[
"1",
[
"Z"
],
[
"3"
]
],
[
"4",
[
"Z"
],
[
"4"
]
],
[
"2",
[
"Z"
],
[
"8"
]
],
[
"2",
[
"Z"
],
[
"ppt"
]
],
[
"4",
[
"Z"
],
[
"9"
]
],
[
"4",
[
"Z"
],
[
"14"
]
],
[
"8.586",
[
"μ(Mo-Kα)/mm−1"
],
[
"1"
]
],
[
"2.376",
[
"μ(Mo-Kα)/mm−1"
],
[
"2"
]
],
[
"7.740",
[
"μ(Mo-Kα)/mm−1"
],
[
"3"
]
],
[
"2.470",
[
"μ(Mo-Kα)/mm−1"
],
[
"4"
]
],
[
"5.825",
[
"μ(Mo-Kα)/mm−1"
],
[
"8"
]
],
[
"0.303",
[
"μ(Mo-Kα)/mm−1"
],
[
"ppt"
]
],
[
"2.250",
[
"μ(Mo-Kα)/mm−1"
],
[
"9"
]
],
[
"1.368",
[
"μ(Mo-Kα)/mm−1"
],
[
"14"
]
],
[
"531.00",
[
"F(000)"
],
[
"1"
]
],
[
"354.00",
[
"F(000)"
],
[
"2"
]
],
[
"852.00",
[
"F(000)"
],
[
"3"
]
],
[
"640.00",
[
"F(000)"
],
[
"4"
]
],
[
"324.00",
[
"F(000)"
],
[
"8"
]
],
[
"196.00",
[
"F(000)"
],
[
"ppt"
]
],
[
"740.00",
[
"F(000)"
],
[
"9"
]
],
[
"1188.00",
[
"F(000)"
],
[
"14"
]
],
[
"2352",
[
"Data collected"
],
[
"1"
]
],
[
"4059",
[
"Data collected"
],
[
"2"
]
],
[
"2233",
[
"Data collected"
],
[
"3"
]
],
[
"3686",
[
"Data collected"
],
[
"4"
]
],
[
"3374",
[
"Data collected"
],
[
"8"
]
],
[
"3104",
[
"Data collected"
],
[
"ppt"
]
],
[
"4461",
[
"Data collected"
],
[
"9"
]
],
[
"22495",
[
"Data collected"
],
[
"14"
]
],
[
"2016 (0.018)",
[
"Unique data (Rint)"
],
[
"1"
]
],
[
"3812 (0.007)",
[
"Unique data (Rint)"
],
[
"2"
]
],
[
"2004 (0.018)",
[
"Unique data (Rint)"
],
[
"3"
]
],
[
"3338 (0.018)",
[
"Unique data (Rint)"
],
[
"4"
]
],
[
"3184 (0.007)",
[
"Unique data (Rint)"
],
[
"8"
]
],
[
"2663 (0.016)",
[
"Unique data (Rint)"
],
[
"ppt"
]
],
[
"4027 (0.032)",
[
"Unique data (Rint)"
],
[
"9"
]
],
[
"5117 (0.040)",
[
"Unique data (Rint)"
],
[
"14"
]
],
[
"2003",
[
"Observed data [I \u003e 2σ(I)]"
],
[
"1"
]
],
[
"3310",
[
"Observed data [I \u003e 2σ(I)]"
],
[
"2"
]
],
[
"1555",
[
"Observed data [I \u003e 2σ(I)]"
],
[
"3"
]
],
[
"2440",
[
"Observed data [I \u003e 2σ(I)]"
],
[
"4"
]
],
[
"2587",
[
"Observed data [I \u003e 2σ(I)]"
],
[
"8"
]
],
[
"2433",
[
"Observed data [I \u003e 2σ(I)]"
],
[
"ppt"
]
],
[
"2588",
[
"Observed data [I \u003e 2σ(I)]"
],
[
"9"
]
],
[
"3700",
[
"Observed data [I \u003e 2σ(I)]"
],
[
"14"
]
],
[
"0.0306",
[
"Final R1\n[I \u003e 2σ(I)]"
],
[
"1"
]
],
[
"0.0244",
[
"Final R1\n[I \u003e 2σ(I)]"
],
[
"2"
]
],
[
"0.0290",
[
"Final R1\n[I \u003e 2σ(I)]"
],
[
"3"
]
],
[
"0.0312",
[
"Final R1\n[I \u003e 2σ(I)]"
],
[
"4"
]
],
[
"0.0303",
[
"Final R1\n[I \u003e 2σ(I)]"
],
[
"8"
]
],
[
"0.0286",
[
"Final R1\n[I \u003e 2σ(I)]"
],
[
"ppt"
]
],
[
"0.0396",
[
"Final R1\n[I \u003e 2σ(I)]"
],
[
"9"
]
],
[
"0.0415",
[
"Final R1\n[I \u003e 2σ(I)]"
],
[
"14"
]
],
[
"0.0857",
[
"wR2"
],
[
"1"
]
],
[
"0.0631",
[
"wR2"
],
[
"2"
]
],
[
"0.0700",
[
"wR2"
],
[
"3"
]
],
[
"0.0687",
[
"wR2"
],
[
"4"
]
],
[
"0.0737",
[
"wR2"
],
[
"8"
]
],
[
"0.0828",
[
"wR2"
],
[
"ppt"
]
],
[
"0.0978",
[
"wR2"
],
[
"9"
]
],
[
"0.1054",
[
"wR2"
],
[
"14"
]
]
]
},
{
"caption": "Table 2 Electrochemical data for [Cu(TPTM)(CH3CN)]PF6 and [CuBr(TPTM)]",
"heading": [],
"tde_raw_table": [
[
"",
"E/V (Epa\n−\nEpc)"
],
[
"[Cu(TPTM)(CH3CN)]",
"[Cu(TPTM)(CH3CN)]"
],
[
"CH2Cl2",
"−0.174 (0.089), 0.65 (0.100)"
],
[
"CH3CN",
"−0.327 (0.064), 0.654 (pc)"
],
[
"",
""
],
[
"[CuBr(TPTM)]",
"[CuBr(TPTM)]"
],
[
"CH2Cl2",
"−0.691 (pa), 0.462 (0.063)"
],
[
"CH3CN",
"−0.359 (0.065), 0.512 (0.084)"
]
],
"tde_table": [
[
"[Cu(TPTM)(CH3CN)]",
[
"[Cu(TPTM)(CH3CN)]"
],
[
"E/V (Epa\n−\nEpc)"
]
],
[
"−0.174 (0.089), 0.65 (0.100)",
[
"CH2Cl2"
],
[
"E/V (Epa\n−\nEpc)"
]
],
[
"−0.327 (0.064), 0.654 (pc)",
[
"CH3CN"
],
[
"E/V (Epa\n−\nEpc)"
]
],
[
"NoValue",
[
""
],
[
"E/V (Epa\n−\nEpc)"
]
],
[
"[CuBr(TPTM)]",
[
"[CuBr(TPTM)]"
],
[
"E/V (Epa\n−\nEpc)"
]
],
[
"−0.691 (pa), 0.462 (0.063)",
[
"CH2Cl2"
],
[
"E/V (Epa\n−\nEpc)"
]
],
[
"−0.359 (0.065), 0.512 (0.084)",
[
"CH3CN"
],
[
"E/V (Epa\n−\nEpc)"
]
]
]
},
{
"caption": "Table 3 S–S Bond distances (Å) and C–S–S–C torsion angles (°) for Cu(II) complexes 1–3",
"heading": 0,
"tde_raw_table": [
[
"1",
"2",
"3"
],
[
"S–S",
"S–S",
"S–S"
],
[
"2.031(2)",
"2.024(1)",
"2.059(2)"
],
[
"",
"2.047(1)",
""
],
[
"",
"",
""
],
[
"C–S–S–C",
"C–S–S–C",
"C–S–S–C"
],
[
"71.1(2)",
"71.1(2)",
"108.9(2)"
],
[
"",
"81.3(2)",
""
]
],
"tde_table": [
[
"S–S",
[
"S–S"
],
[
"2"
]
],
[
"S–S",
[
"S–S"
],
[
"3"
]
],
[
"2.024(1)",
[
"2.031(2)"
],
[
"2"
]
],
[
"2.059(2)",
[
"2.031(2)"
],
[
"3"
]
],
[
"2.047(1)",
[
""
],
[
"2"
]
],
[
"NoValue",
[
""
],
[
"3"
]
],
[
"C–S–S–C",
[
"C–S–S–C"
],
[
"2"
]
],
[
"C–S–S–C",
[
"C–S–S–C"
],
[
"3"
]
],
[
"71.1(2)",
[
"71.1(2)"
],
[
"2"
]
],
[
"108.9(2)",
[
"71.1(2)"
],
[
"3"
]
]
]
}
]
}
]