Information card for entry 2221404
Chemical name |
Diaquabis(2,2'-biimidazole)zinc(II) 4,4'-dicarboxybiphenyl-3,3'-dicarboxylate |
Formula |
C28 H24 N8 O10 Zn |
Calculated formula |
C28 H24 N8 O10 Zn |
SMILES |
C(=O)(c1cc(c2cc(C(=O)[O-])c(cc2)C(=O)O)ccc1C(=O)O)[O-].c12c3[nH]cc[n]3[Zn]3([n]1cc[nH]2)([OH2])([n]1c(c2[n]3cc[nH]2)[nH]cc1)[OH2] |
Title of publication |
Diaquabis(2,2'-biimidazole)zinc(II) 4,4'-dicarboxybiphenyl-3,3'-dicarboxylate |
Authors of publication |
Kang, Jie; Huang, Chang-Cang; Jiang, Zhi-Qing; Huang, Sheng; Huang, Shuang-Lu |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
4 |
Pages of publication |
m452 |
a |
8.2133 ± 0.0016 Å |
b |
9.81 ± 0.002 Å |
c |
10.498 ± 0.002 Å |
α |
63.72 ± 0.03° |
β |
68 ± 0.03° |
γ |
83.85 ± 0.03° |
Cell volume |
701.4 ± 0.3 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0375 |
Residual factor for significantly intense reflections |
0.0361 |
Weighted residual factors for significantly intense reflections |
0.0943 |
Weighted residual factors for all reflections included in the refinement |
0.0956 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.002 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2221404.html