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Information card for entry 2105090
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| Coordinates | 2105090.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Tris(2,2?-bipyridyl)dichlororuthenium(II) hexahydrate |
|---|---|
| Formula | C30 H36 Cl2 N6 O6 Ru |
| Calculated formula | C30 H24 N6 Ru |
| SMILES | c12cccc[n]1[Ru]13([n]4c2cccc4)([n]2c(cccc2)c2cccc[n]32)[n]2c(c3cccc[n]13)cccc2 |
| Title of publication | Rationalizing the molecular origins of Ru- and Fe-based dyes for dye-sensitized solar cells |
| Authors of publication | Low, Kian Sing; Cole, Jacqueline M.; Zhou, Xiaolan; Yufa, Nataliya |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | 137 - 149 |
| a | 13.1383 ± 0.0012 Å |
| b | 13.1383 ± 0.0012 Å |
| c | 20.995 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3138.5 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 192 |
| Hermann-Mauguin space group symbol | P 6/m c c |
| Hall space group symbol | -P 6 2c |
| Residual factor for all reflections | 0.0769 |
| Residual factor for significantly intense reflections | 0.0614 |
| Weighted residual factors for significantly intense reflections | 0.1439 |
| Weighted residual factors for all reflections included in the refinement | 0.1529 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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