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Information card for entry 4000153
Preview
| Coordinates | 4000153.cif |
|---|
| Formula | In2 O15 Se6 |
|---|---|
| Calculated formula | C2 H6 Nb0.5 O4 Re0.5 |
| SMILES | O=[Re](=O)(=O)O[Nb](OC)(OC)(OC)OC |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2002 |
| a | 11.1463 ± 0.0005 Å |
| b | 13.321 ± 0.0006 Å |
| c | 9.7149 ± 0.0004 Å |
| α | 90° |
| β | 105.478 ± 0.001° |
| γ | 90° |
| Cell volume | 1390.15 ± 0.11 Å3 |
| Cell temperature | 293 ± 0.2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.1419 |
| Residual factor for significantly intense reflections | 0.0679 |
| Weighted residual factors for significantly intense reflections | 0.1417 |
| Weighted residual factors for all reflections included in the refinement | 0.1604 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.902 |
| Diffraction radiation wavelength | 0.71073 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.