Information card for entry 2228482
Chemical name |
Bis(μ-2,2'-disulfanediyldibenzoato)bis[aqua(2,2'-bipyridine)nickel(II)] |
Formula |
C48 H36 N4 Ni2 O10 S4 |
Calculated formula |
C48 H36 N4 Ni2 O10 S4 |
SMILES |
c12ccccc1SSc1c(cccc1)C(=O)O[Ni]13([n]4ccccc4c4[n]1cccc4)[O]=C(c1c(SSc4c(cccc4)C(=O)O[Ni]45([n]6ccccc6c6[n]4cccc6)[O]=C2O5)cccc1)O3.O.O |
Title of publication |
Bis(μ-2,2'-disulfanediyldibenzoato)bis[aqua(2,2'-bipyridine)nickel(II)] |
Authors of publication |
Liu, Zhengming; Qu, Botao; Yu, Jianghua; Yuan, Limin; Liu, Wenlong |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
12 |
Pages of publication |
m1563 |
a |
13.498 ± 0.004 Å |
b |
16.769 ± 0.005 Å |
c |
10.238 ± 0.003 Å |
α |
90° |
β |
93.196 ± 0.004° |
γ |
90° |
Cell volume |
2313.7 ± 1.2 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
6 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0387 |
Residual factor for significantly intense reflections |
0.0291 |
Weighted residual factors for significantly intense reflections |
0.0746 |
Weighted residual factors for all reflections included in the refinement |
0.0798 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.058 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2228482.html