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Information card for entry 2200773
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| Coordinates | 2200773.cif |
|---|---|
| Structure factors | 2200773.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquabis(4-nitrobenzoato)zinc(II) |
|---|---|
| Formula | C14 H12 N2 O10 Zn |
| Calculated formula | C14 H12 N2 O10 Zn |
| SMILES | C(=O)(O[Zn]([OH2])(OC(=O)c1ccc(N(=O)=O)cc1)[OH2])c1ccc(N(=O)=O)cc1 |
| Title of publication | Diaquabis(4-nitrobenzoato)zinc(II): a redetermination |
| Authors of publication | Necefoglu, Hacali; Clegg, William; Scott, Andrew J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 10 |
| Pages of publication | m472 - m474 |
| a | 26.519 ± 0.004 Å |
| b | 5.1011 ± 0.0009 Å |
| c | 12.143 ± 0.002 Å |
| α | 90° |
| β | 110.019 ± 0.004° |
| γ | 90° |
| Cell volume | 1543.4 ± 0.4 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0286 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for all reflections included in the refinement | 0.0738 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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