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Information card for entry 2101922
Preview
| Coordinates | 2101922.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C47 H34 N4 O Ru S |
|---|---|
| Calculated formula | C47 H33 N4 O Ru S |
| Title of publication | Crystal and Molecular Structure of Thiocarbonyl-ethoxo(tetraphenylporphyrinato)ruthenium(II), [Ru(TPP)(CS)(HOC~2~H~5~)]. A Case of Centrosymmetric‒Noncentrosymmetric Ambiguity |
| Authors of publication | Bartczak, T. J.; Rachlewicz, K.; Latos-Grażynski, L. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 5 |
| Pages of publication | 767 - 772 |
| a | 10.607 ± 0.003 Å |
| b | 11.308 ± 0.005 Å |
| c | 17.699 ± 0.002 Å |
| α | 77.53 ± 0.02° |
| β | 73.17 ± 0.01° |
| γ | 69.85 ± 0.03° |
| Cell volume | 1891.6 ± 1.1 Å3 |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.184 |
| Residual factor for significantly intense reflections | 0.0938 |
| Weighted residual factors for all reflections | 0.1283 |
| Weighted residual factors for significantly intense reflections | 0.0984 |
| Goodness-of-fit parameter for significantly intense reflections | 2.28 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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