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Information card for entry 2204952
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| Coordinates | 2204952.cif |
|---|---|
| Structure factors | 2204952.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(pyridinium) tetrabromocadmate(II) monohydrate |
|---|---|
| Formula | C10 H14 Br4 Cd N2 O |
| Calculated formula | C10 H14 Br4 Cd N2 O |
| SMILES | c1cccc[nH+]1.c1cccc[nH+]1.O.Br[Cd](Br)([Br-])[Br-] |
| Title of publication | Bis(pyridinium) tetrabromocadmate(II) monohydrate |
| Authors of publication | Zhang, Hui; Fang, Liang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 1 |
| Pages of publication | m101 - m102 |
| a | 14.951 ± 0.002 Å |
| b | 9.1564 ± 0.0015 Å |
| c | 12.815 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1754.3 ± 0.5 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0461 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.0698 |
| Weighted residual factors for all reflections included in the refinement | 0.0767 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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