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Information card for entry 2203710
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| Coordinates | 2203710.cif |
|---|---|
| Structure factors | 2203710.hkl |
| Original IUCr paper | HTML |
| Common name | 1,2-bis(4-pyridyl)ethylenium trismalonatochromate(3-) octahydrate |
|---|---|
| Chemical name | 1,2-bis(4-pyridyl)ethylenium tris(malonato-κ^2^O,O') chromate(III)-water (1/8) |
| Formula | C45 H55 Cr N6 O20 |
| Calculated formula | C45 H55 Cr N6 O20 |
| Title of publication | The tris(malonato)chromate(III) anion with an organic cation |
| Authors of publication | Ghosh, Dipesh; Powell, Doug R.; Van Horn, J. David |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 6 |
| Pages of publication | m764 - m766 |
| a | 21.319 ± 0.004 Å |
| b | 11.997 ± 0.002 Å |
| c | 38.3 ± 0.006 Å |
| α | 90° |
| β | 100.632 ± 0.003° |
| γ | 90° |
| Cell volume | 9628 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0753 |
| Residual factor for significantly intense reflections | 0.0672 |
| Weighted residual factors for significantly intense reflections | 0.1728 |
| Weighted residual factors for all reflections included in the refinement | 0.1791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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