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Information card for entry 8107277
Preview
| Coordinates | 8107277.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H14 Fe N4 O10 |
|---|---|
| Calculated formula | C13 H14 Fe N4 O10 |
| Title of publication | Crystal structure of Diaqua[5,5′-dicarboxy-2,2′-(propane-1,3-diyl)bis(1H-imidazole-4-carboxylato-k4 O,O′,N,N′)]iron(II), C13H14FeN4O10 |
| Authors of publication | Zhang, Ya-Ping; Pu, Lu-Yu; Sun, De-Mei |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 6 |
| Pages of publication | 1005 - 1007 |
| a | 13.2154 ± 0.0004 Å |
| b | 16.9075 ± 0.0006 Å |
| c | 13.9347 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3113.56 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 54 |
| Hermann-Mauguin space group symbol | P c c a |
| Hall space group symbol | -P 2a 2ac |
| Residual factor for all reflections | 0.0528 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0871 |
| Weighted residual factors for all reflections included in the refinement | 0.0971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284094 (current) | 2023-05-31 | cif/ Adding structures of 8107277 via cif-deposit CGI script. |
8107277.cif |
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Users of the data should acknowledge the original authors of the
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