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Information card for entry 8105422
Preview
| Coordinates | 8105422.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H22 N8 Ni O6 |
|---|---|
| Calculated formula | C28 H22 N8 Ni O6 |
| Title of publication | Crystal structure of poly[diaqua-bis(μ2-4-(3-(pyridin-3-yl)-1H-1,2,4-triazol-5-yl)benzoato-κ2 N:O)nickel(II)], C28H22O6N8Ni |
| Authors of publication | Xu, Xue-Li; Li, Shi-Hui; Guo, Jin-Bo |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 5 |
| Pages of publication | 1207 - 1208 |
| a | 27.01 ± 0.0011 Å |
| b | 7.4753 ± 0.0005 Å |
| c | 15.4781 ± 0.0006 Å |
| α | 90° |
| β | 118.821 ± 0.003° |
| γ | 90° |
| Cell volume | 2738 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0453 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1097 |
| Weighted residual factors for all reflections included in the refinement | 0.113 |
| 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 | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276042 (current) | 2022-06-15 | cif/ Adding structures of 8105422 via cif-deposit CGI script. |
8105422.cif |
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Users of the data should acknowledge the original authors of the
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