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Information card for entry 2210213
Preview
Coordinates | 2210213.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | catena-Poly[[[μ-4,4'-bipyridine-bis[aquazinc(II)]]-di-μ- benzene-1,3-dicarboxylato] dihydrate] |
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Formula | C13 H12 N O6 Zn |
Calculated formula | C13 H12 N O6 Zn |
SMILES | [Zn]([n]1cc[c]cc1)(OC(=O)c1cccc(c1)C(=O)[O-])([OH2])OC(=O)c1cccc(C(=O)O[Zn]([n]2cc[c]cc2)[OH2])c1.O.O |
Title of publication | <i>catena</i>-Poly[[[μ-4,4'-bipyridine-bis[aquazinc(II)]]-di-μ-benzene-1,3-dicarboxylato] dihydrate] |
Authors of publication | Ling-Yun Zhang; Xian-Zhong Sun |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 9 |
Pages of publication | m2363 - m2365 |
a | 11.73 ± 0.01 Å |
b | 9.863 ± 0.006 Å |
c | 12.23 ± 0.01 Å |
α | 90° |
β | 109.07 ± 0.02° |
γ | 90° |
Cell volume | 1337.3 ± 1.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.137 |
Residual factor for significantly intense reflections | 0.072 |
Weighted residual factors for significantly intense reflections | 0.18 |
Weighted residual factors for all reflections included in the refinement | 0.216 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2210213.html
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