C14H26Cl13N2O5Sb2Sc |
Formula
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
C12H24Cl6FeO6Sc |
Formula
|
[ScCl2(18-crown-6)][FeCl4]
|
C12H30Cl3O9Sc |
Formula
|
[ScCl3(H2O)3]·18-crown-6
|
C16H48N5NaO32Sc2 |
Formula
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
C8H30N4O24Sc2 |
Formula
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
C16H36N3O19Sc |
Formula
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
1051.68 |
M
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
577.82 |
M
|
[ScCl2(18-crown-6)][FeCl4]
|
469.67 |
M
|
[ScCl3(H2O)3]·18-crown-6
|
935.50 |
M
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
656.28 |
M
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
619.44 |
M
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
Orthorhombic |
Crystal system
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
Orthorhombic |
Crystal system
|
[ScCl2(18-crown-6)][FeCl4]
|
Orthorhombic |
Crystal system
|
[ScCl3(H2O)3]·18-crown-6
|
Triclinic |
Crystal system
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
Triclinic |
Crystal system
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
Orthorhombic |
Crystal system
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
Pbca
(no. 61) |
Space group
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
Pna21
(no. 33) |
Space group
|
[ScCl2(18-crown-6)][FeCl4]
|
Pbcn
(no. 60) |
Space group
|
[ScCl3(H2O)3]·18-crown-6
|
P1̄
(no. 2) |
Space group
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
P1̄
(no. 2) |
Space group
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
P21212 (no. 18) |
Space group
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
21.209(2) |
a/Å
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
19.2026(15) |
a/Å
|
[ScCl2(18-crown-6)][FeCl4]
|
10.7210(10) |
a/Å
|
[ScCl3(H2O)3]·18-crown-6
|
8.7342(10) |
a/Å
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
7.5712(15) |
a/Å
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
11.6362(15) |
a/Å
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
13.4224(10) |
b/Å
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
11.2156(10) |
b/Å
|
[ScCl2(18-crown-6)][FeCl4]
|
14.8569(15) |
b/Å
|
[ScCl3(H2O)3]·18-crown-6
|
13.4735(15) |
b/Å
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
9.2350(15) |
b/Å
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
13.432(3) |
b/Å
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
24.800(2) |
c/Å
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
21.0990(15) |
c/Å
|
[ScCl2(18-crown-6)][FeCl4]
|
13.2776(15) |
c/Å
|
[ScCl3(H2O)3]·18-crown-6
|
16.842(3) |
c/Å
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
9.862(3) |
c/Å
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
8.7311(10) |
c/Å
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
90.0 |
α/°
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
90.0 |
α/°
|
[ScCl2(18-crown-6)][FeCl4]
|
90.0 |
α/°
|
[ScCl3(H2O)3]·18-crown-6
|
100.341(4) |
α/°
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
85.497(7) |
α/°
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
90.0 |
α/°
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
90.0 |
β/°
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
90.0 |
β/°
|
[ScCl2(18-crown-6)][FeCl4]
|
90.0 |
β/°
|
[ScCl3(H2O)3]·18-crown-6
|
98.989(4) |
β/°
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
84.869(8) |
β/°
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
90.0 |
β/°
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
90.0 |
γ/°
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
90.0 |
γ/°
|
[ScCl2(18-crown-6)][FeCl4]
|
90.0 |
γ/°
|
[ScCl3(H2O)3]·18-crown-6
|
93.665(7) |
γ/°
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
69.545(15) |
γ/°
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
90.0 |
γ/°
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
7060.0(10) |
U/Å3
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
4544.1(6) |
U/Å3
|
[ScCl2(18-crown-6)][FeCl4]
|
2114.9(4) |
U/Å3
|
[ScCl3(H2O)3]·18-crown-6
|
1917.2(4) |
U/Å3
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
642.7(2) |
U/Å3
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
1364.7(3) |
U/Å3
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
1.979 |
Dcalc/g cm−3
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
1.689 |
Dcalc/g cm−3
|
[ScCl2(18-crown-6)][FeCl4]
|
1.475 |
Dcalc/g cm−3
|
[ScCl3(H2O)3]·18-crown-6
|
1.621 |
Dcalc/g cm−3
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
1.696 |
Dcalc/g cm−3
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
1.507 |
Dcalc/g cm−3
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
8 |
Z
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
8 |
Z
|
[ScCl2(18-crown-6)][FeCl4]
|
4 |
Z
|
[ScCl3(H2O)3]·18-crown-6
|
2 |
Z
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
1 |
Z
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
2 |
Z
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
4064 |
F(000)
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
2344 |
F(000)
|
[ScCl2(18-crown-6)][FeCl4]
|
984 |
F(000)
|
[ScCl3(H2O)3]·18-crown-6
|
976 |
F(000)
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
340 |
F(000)
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
652 |
F(000)
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
0.36 × 0.24 × 0.16 |
Crystal size/mm
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
0.26 × 0.26 × 0.20 |
Crystal size/mm
|
[ScCl2(18-crown-6)][FeCl4]
|
0.30 × 0.26 × 0.20 |
Crystal size/mm
|
[ScCl3(H2O)3]·18-crown-6
|
0.32 × 0.30 × 0.26 |
Crystal size/mm
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
0.26 × 0.20 × 0.10 |
Crystal size/mm
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
0.28 × 0.20 × 0.18 |
Crystal size/mm
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
38521 |
No. reflections measured
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
33479 |
No. reflections measured
|
[ScCl2(18-crown-6)][FeCl4]
|
17374 |
No. reflections measured
|
[ScCl3(H2O)3]·18-crown-6
|
26054 |
No. reflections measured
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
8198 |
No. reflections measured
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
9719 |
No. reflections measured
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
8017 (0.107) |
No. unique reflns (Rint)
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
10116 (0.060) |
No. unique reflns (Rint)
|
[ScCl2(18-crown-6)][FeCl4]
|
2415(0.073) |
No. unique reflns (Rint)
|
[ScCl3(H2O)3]·18-crown-6
|
6636 (0.058) |
No. unique reflns (Rint)
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
2801 (0.085) |
No. unique reflns (Rint)
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
3109 (0.050) |
No. unique reflns (Rint)
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
55.0 |
2θ(max)/°
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
55.0 |
2θ(max)/°
|
[ScCl2(18-crown-6)][FeCl4]
|
54.9 |
2θ(max)/°
|
[ScCl3(H2O)3]·18-crown-6
|
50.0 |
2θ(max)/°
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
54.9 |
2θ(max)/°
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
54.9 |
2θ(max)/°
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
0.8822, 0.7992 |
Max., min. transmission
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
0.8875, 0.8157 |
Max., min. transmission
|
[ScCl2(18-crown-6)][FeCl4]
|
0.9492, 0.7854 |
Max., min. transmission
|
[ScCl3(H2O)3]·18-crown-6
|
0.8954, 0.8798 |
Max., min. transmission
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
0.9230, 0.8746 |
Max., min. transmission
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
0.8857, 0.8521 |
Max., min. transmission
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
8017 |
No. of data in refinement
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
10116 |
No. of data in refinement
|
[ScCl2(18-crown-6)][FeCl4]
|
2415 |
No. of data in refinement
|
[ScCl3(H2O)3]·18-crown-6
|
6636 |
No. of data in refinement
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
2801 |
No. of data in refinement
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
3109 |
No. of data in refinement
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
335/0 |
No. params/restraints
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
470/1 |
No. params/restraints
|
[ScCl2(18-crown-6)][FeCl4]
|
125/3 |
No. params/restraints
|
[ScCl3(H2O)3]·18-crown-6
|
493/3 |
No. params/restraints
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
191/6 |
No. params/restraints
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
185/2 |
No. params/restraints
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
n.a. |
Flack parameter
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
0.09(1) |
Flack parameter
|
[ScCl2(18-crown-6)][FeCl4]
|
n.a. |
Flack parameter
|
[ScCl3(H2O)3]·18-crown-6
|
n.a. |
Flack parameter
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
n.a. |
Flack parameter
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
0.00(3) |
Flack parameter
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
27.19 |
μ/cm−1
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
16.67 |
μ/cm−1
|
[ScCl2(18-crown-6)][FeCl4]
|
7.65 |
μ/cm−1
|
[ScCl3(H2O)3]·18-crown-6
|
4.79 |
μ/cm−1
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
6.36 |
μ/cm−1
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
3.58 |
μ/cm−1
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
0.952 |
S
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
0.992 |
S
|
[ScCl2(18-crown-6)][FeCl4]
|
1.036 |
S
|
[ScCl3(H2O)3]·18-crown-6
|
1.019 |
S
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
1.027 |
S
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
1.015 |
S
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
0.003 |
Max. shift/e.s.d.
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
0.001 |
Max. shift/e.s.d.
|
[ScCl2(18-crown-6)][FeCl4]
|
0.001 |
Max. shift/e.s.d.
|
[ScCl3(H2O)3]·18-crown-6
|
0.001 |
Max. shift/e.s.d.
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
0.000 |
Max. shift/e.s.d.
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
0.000 |
Max. shift/e.s.d.
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
−0.97 to +0.94 |
Residual e-density/e Å−3
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
−0.56 to +0.44 |
Residual e-density/e Å−3
|
[ScCl2(18-crown-6)][FeCl4]
|
–0.39 to +0.37 |
Residual e-density/e Å−3
|
[ScCl3(H2O)3]·18-crown-6
|
−0.56 to +1.01 |
Residual e-density/e Å−3
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
−0.47 to +0.34 |
Residual e-density/e Å−3
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
−0.37 to +0.22 |
Residual e-density/e Å−3
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
0.042 ( 4920 refs) |
R
(I > 2σ(I))
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
0.039 (7859 refs) |
R
(I > 2σ(I))
|
[ScCl2(18-crown-6)][FeCl4]
|
0.038 (1767 refs) |
R
(I > 2σ(I))
|
[ScCl3(H2O)3]·18-crown-6
|
0.050 (4294 refs) |
R
(I > 2σ(I))
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
0.041 (2053 refs) |
R
(I > 2σ(I))
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
0.041 (2506 refs) |
R
(I > 2σ(I))
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
0.098 |
R
(all data)
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
0.065 |
R
(all data)
|
[ScCl2(18-crown-6)][FeCl4]
|
0.062 |
R
(all data)
|
[ScCl3(H2O)3]·18-crown-6
|
0.090 |
R
(all data)
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
0.069 |
R
(all data)
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
0.060 |
R
(all data)
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|
0.086 |
wR2
(all data)
|
[ScCl(MeCN)(15-crown-5)][SbCl6]2·MeCN
|
0.080 |
wR2
(all data)
|
[ScCl2(18-crown-6)][FeCl4]
|
0.092 |
wR2
(all data)
|
[ScCl3(H2O)3]·18-crown-6
|
0.145 |
wR2
(all data)
|
[Sc2(NO3)4(H2O)4(OH)2][Na(12-crown-4)2](NO3)·(H2O)3
|
0.098 |
wR2
(all data)
|
[Sc2(NO3)2(H2O)6(OH)2](NO3)2·12-crown-4
|
0.088 |
wR2
(all data)
|
[Sc(NO3)3(H2O)2]·(12-crown-4)2
|