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Information card for entry 2101642
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| Coordinates | 2101642.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C8 H10 Mn O12 |
|---|---|
| Calculated formula | C8 H10 Mn O12 |
| Title of publication | Structural relationship of various squarates |
| Authors of publication | Lee, Chi-Rung; Wang, Chih-Chieh; Wang, Yu |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 6 |
| Pages of publication | 966 - 975 |
| a | 5.194 ± 0.003 Å |
| b | 7.454 ± 0.002 Å |
| c | 8.9007 ± 0.0018 Å |
| α | 67.07 ± 0.02° |
| β | 77.26 ± 0.03° |
| γ | 74.46 ± 0.04° |
| Cell volume | 303.1 ± 0.2 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.024 |
| Residual factor for significantly intense reflections | 0.023 |
| Weighted residual factors for all reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.029 |
| Goodness-of-fit parameter for significantly intense reflections | 2.82 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.