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Information card for entry 2108533
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| Coordinates | 2108533.cif |
|---|---|
| Structure factors | 2108533.hkl |
| Original paper (by DOI) | HTML |
| Formula | Cr2 Fe0.65 Mg0.35 O4 |
|---|---|
| Calculated formula | Cr2 Fe0.647 Mg0.353 O4 |
| Title of publication | Non-merohedral twinning: from minerals to proteins |
| Authors of publication | Sevvana, Madhumati; Ruf, Michael; Usón, Isabel; Sheldrick, George M.; Herbst-Irmer, Regine |
| Journal of publication | Acta Crystallographica Section D Structural Biology |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 12 |
| a | 8.321 ± 0.002 Å |
| b | 8.321 ± 0.002 Å |
| c | 8.321 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 576.1 ± 0.2 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 227 |
| Hermann-Mauguin space group symbol | F d -3 m :2 |
| Hall space group symbol | -F 4vw 2vw 3 |
| Residual factor for all reflections | 0.0276 |
| Residual factor for significantly intense reflections | 0.0271 |
| Weighted residual factors for significantly intense reflections | 0.0694 |
| Weighted residual factors for all reflections included in the refinement | 0.0697 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.287 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231076 (current) | 2019-11-20 | cif/ hkl/ Adding structures of 2108531, 2108532, 2108533, 2108534, 2108535, 2108536, 2108537, 2108538 via cif-deposit CGI script. |
2108533.cif 2108533.hkl |
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Users of the data should acknowledge the original authors of the
structural data.