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Information card for entry 8107168
Preview
| Coordinates | 8107168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H12 Mn N6 O6 |
|---|---|
| Calculated formula | C14 H12 Mn N6 O6 |
| Title of publication | The crystal structure of diaqua-bis(pyrazolo[1,5-a]pyrimidine-3-carboxylato-κ2 N,O)manganese(II), C14H12N6O6Mn |
| Authors of publication | Hong, Dong-Feng; Li, Meng-Fei; Chu, Tian-Tian |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 4 |
| Pages of publication | 613 - 614 |
| a | 7.0839 ± 0.0003 Å |
| b | 13.1211 ± 0.0004 Å |
| c | 8.9854 ± 0.0003 Å |
| α | 90° |
| β | 112.359 ± 0.005° |
| γ | 90° |
| Cell volume | 772.39 ± 0.06 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0296 |
| Residual factor for significantly intense reflections | 0.0274 |
| Weighted residual factors for significantly intense reflections | 0.0711 |
| Weighted residual factors for all reflections included in the refinement | 0.0725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283651 (current) | 2023-05-10 | cif/ Adding structures of 8107168 via cif-deposit CGI script. |
8107168.cif |
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Users of the data should acknowledge the original authors of the
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