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Information card for entry 2202389
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| Coordinates | 2202389.cif |
|---|---|
| Structure factors | 2202389.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diamminehexabromodiscandium(III) |
|---|---|
| Formula | Br6 H6 N2 Sc2 |
| Calculated formula | Br6 H6 N2 Sc2 |
| SMILES | [Sc]1(Br)([Br][Sc]([Br]1)(Br)(Br)(Br)[NH3])[NH3] |
| Title of publication | Diamminehexabromodiscandium(III) |
| Authors of publication | Meyer, Gerd; Cesur, Nazife; Pantenburg, Ingo |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 11 |
| Pages of publication | i145 - i146 |
| a | 7.392 ± 0.002 Å |
| b | 9.578 ± 0.002 Å |
| c | 9.551 ± 0.002 Å |
| α | 73.07 ± 0.02° |
| β | 80.04 ± 0.02° |
| γ | 77.82 ± 0.02° |
| Cell volume | 627.8 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.095 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.083 |
| Weighted residual factors for all reflections included in the refinement | 0.096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.789 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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