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Information card for entry 8105564
Preview
| Coordinates | 8105564.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H40 Mn N10 O12 |
|---|---|
| Calculated formula | C40 H40 Mn N10 O12 |
| Title of publication | Crystal structure of poly[diaqua-bis(μ2-1-(4-(1H-imidazol-1-yl)benzyl)-1H-1,2,4-triazole-κ2 N:N′)manganese(II)]bis(2-carboxybenzoate) dihydrate, MnC40H40N10O12 |
| Authors of publication | Li, Wen; Zhu, Xia; Zhu, Xue-heng; Li, Shi-jing-min |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 234 |
| Journal issue | 1 |
| Pages of publication | 127 - 129 |
| a | 8.252 ± 0.006 Å |
| b | 18.144 ± 0.01 Å |
| c | 13.58 ± 0.008 Å |
| α | 90° |
| β | 97.61 ± 0.03° |
| γ | 90° |
| Cell volume | 2015 ± 2 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 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 | 0.0688 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.089 |
| Weighted residual factors for all reflections included in the refinement | 0.1027 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276395 (current) | 2022-06-29 | cif/ Adding structures of 8105564 via cif-deposit CGI script. |
8105564.cif |
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Users of the data should acknowledge the original authors of the
structural data.