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Information card for entry 8104558
Preview
| Coordinates | 8104558.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H34 N8 Ni O8 |
|---|---|
| Calculated formula | C28 H34 N8 Ni O8 |
| Title of publication | Crystal structure of catena-poly[triaqua-(μ 2-1,3-di(1H-imidazol-1-yl)propane-κ 2 N:N′)-(4,4′-(1H-1,2,4-triazole-3,5-diyl)dibenzoato-κ 1 O)nickel(II)]N,N′-dimethylformamide (1/1), C28H35N8O8Ni |
| Authors of publication | Xi, Fei; Gao, Yan-Hong; Tang, Bo; Ge, Hong-Guang; Wang, Qin; Lu, Jiu-Fu |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 6 |
| Pages of publication | 1171 - 1173 |
| a | 14.7476 ± 0.0015 Å |
| b | 19.6335 ± 0.0019 Å |
| c | 10.8116 ± 0.0011 Å |
| α | 90° |
| β | 104.334 ± 0.002° |
| γ | 90° |
| Cell volume | 3033 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1098 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.0829 |
| Weighted residual factors for all reflections included in the refinement | 0.0961 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272878 (current) | 2022-02-09 | cif/ Adding structures of 8104558 via cif-deposit CGI script. |
8104558.cif |
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Users of the data should acknowledge the original authors of the
structural data.