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Information card for entry 8107238
Preview
| Coordinates | 8107238.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H16 N6 Ni O8 |
|---|---|
| Calculated formula | C14 H16 N6 Ni O8 |
| Title of publication | The crystal structure of diaqua-bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ2N,O)nickel(II) dihydrate, C14H16N6O8Ni |
| Authors of publication | Hong, Deng-Feng; Li, Meng-Fei; Chu, Tian-Tian |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 5 |
| Pages of publication | 867 - 868 |
| a | 6.3975 ± 0.0003 Å |
| b | 11.6712 ± 0.0005 Å |
| c | 11.7199 ± 0.0005 Å |
| α | 90° |
| β | 96.677 ± 0.004° |
| γ | 90° |
| Cell volume | 869.15 ± 0.07 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 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 | 0.0433 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.0748 |
| Weighted residual factors for all reflections included in the refinement | 0.0789 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283931 (current) | 2023-05-22 | cif/ Adding structures of 8107238 via cif-deposit CGI script. |
8107238.cif |
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Users of the data should acknowledge the original authors of the
structural data.