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Information card for entry 8106209
Preview
| Coordinates | 8106209.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H20 N6 Ni O6 |
|---|---|
| Calculated formula | C21 H20 N6 Ni O6 |
| Title of publication | Crystal structure of poly[aqua-(μ2-5-methoxyisophthalate-κ3 O,O′:O′′)-(μ2-1,4-bis((1H-1,2,4-triazol-1-yl)methyl)benzene-κ2 N:N′)nickel(II), NiC21H20N6O6 |
| Authors of publication | Fu, Hong-Ru |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 539 - 541 |
| a | 10.1526 ± 0.0016 Å |
| b | 11.067 ± 0.0018 Å |
| c | 11.1729 ± 0.0018 Å |
| α | 71.559 ± 0.002° |
| β | 69.827 ± 0.002° |
| γ | 70.439 ± 0.002° |
| Cell volume | 1081.3 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0485 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0849 |
| Weighted residual factors for all reflections included in the refinement | 0.0911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0181 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279490 (current) | 2022-11-23 | cif/ Adding structures of 8106209 via cif-deposit CGI script. |
8106209.cif |
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