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Information card for entry 8106550
Preview
| Coordinates | 8106550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H72 Mn2 N20 O20 |
|---|---|
| Calculated formula | C80 H72 Mn2 N20 O20 |
| Title of publication | Crystal structure of a diaqua-bis(3,5-di(1H-imidazol-1-yl)pyridine-κN)-bis(2-(4-carboxy-phenyl)acetato-κO]manganese(II), C40H36MnN10O10 |
| Authors of publication | Ju, Feng-Yang; Guo, Wen-Bo; Li, Yun-Ping |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 3 |
| Pages of publication | 405 - 407 |
| a | 21.8966 ± 0.0012 Å |
| b | 7.2586 ± 0.0004 Å |
| c | 12.2346 ± 0.0006 Å |
| α | 90° |
| β | 98.232 ± 0.001° |
| γ | 90° |
| Cell volume | 1924.52 ± 0.18 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0414 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0788 |
| Weighted residual factors for all reflections included in the refinement | 0.0847 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280526 (current) | 2023-01-23 | cif/ Adding structures of 8106550 via cif-deposit CGI script. |
8106550.cif |
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Users of the data should acknowledge the original authors of the
structural data.