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Information card for entry 8106814
Preview
| Coordinates | 8106814.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H18 Mn O14 S2 |
|---|---|
| Calculated formula | C12 H18 Mn O14 S2 |
| Title of publication | Crystal structure of hexaaquamanganese(II) bis(3-carboxythiophene-2-carboxylate) C12H18MnO14S2 |
| Authors of publication | Zhao, Yan; Li, Shi-Hui; Zhang, Li |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 165 - 167 |
| a | 6.5076 ± 0.001 Å |
| b | 8.4923 ± 0.0013 Å |
| c | 9.8092 ± 0.0015 Å |
| α | 66.618 ± 0.001° |
| β | 86.903 ± 0.002° |
| γ | 82.235 ± 0.002° |
| Cell volume | 493.02 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0596 |
| Residual factor for significantly intense reflections | 0.0569 |
| Weighted residual factors for significantly intense reflections | 0.1756 |
| Weighted residual factors for all reflections included in the refinement | 0.1792 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281246 (current) | 2023-03-02 | cif/ Adding structures of 8106814 via cif-deposit CGI script. |
8106814.cif |
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Users of the data should acknowledge the original authors of the
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