Information card for entry 2203135
Chemical name |
Bis(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^N,N')dichloronickel(II) dihydrate |
Formula |
C12 H16 Cl2 N8 Ni O2 S4 |
Calculated formula |
C12 H16 Cl2 N8 Ni O2 S4 |
SMILES |
[Ni]12(Cl)(Cl)([n]3c(scc3c3[n]1c(sc3)N)N)[n]1c(scc1c1[n]2c(sc1)N)N.O.O |
Title of publication |
Dichlorobis(2,2'-diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')nickel(II) dihydrate |
Authors of publication |
Liu, Jia-Geng; Xu, Duan-Jun |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2004 |
Journal volume |
60 |
Journal issue |
1 |
Pages of publication |
m108 - m110 |
a |
10.814 ± 0.002 Å |
b |
13.534 ± 0.003 Å |
c |
15.061 ± 0.003 Å |
α |
90° |
β |
106.561 ± 0.014° |
γ |
90° |
Cell volume |
2112.8 ± 0.8 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
7 |
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 |
0.106 |
Residual factor for significantly intense reflections |
0.045 |
Weighted residual factors for significantly intense reflections |
0.09 |
Weighted residual factors for all reflections included in the refinement |
0.101 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.811 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2203135.html