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Information card for entry 4075836
Preview
| Coordinates | 4075836.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H13 N S |
|---|---|
| Calculated formula | C9 H13 N S |
| SMILES | S=Cc1[nH]c(c(c1C)CC)C |
| Title of publication | Mixed-Donor Ligands: Pyrrolecarbaldehyde and Pyrrolecarbothioaldehyde σ-Organyl Complexes of Ruthenium(II) and Osmium(II) |
| Authors of publication | Wilton-Ely, James D. E. T.; Pogorzelec, Peter J.; Honarkhah, Sanaz J.; Reid, David H.; Tocher, Derek A. |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 12 |
| Pages of publication | 2862 |
| a | 7.9524 ± 0.0018 Å |
| b | 13.352 ± 0.003 Å |
| c | 8.6274 ± 0.0019 Å |
| α | 90° |
| β | 94.698 ± 0.004° |
| γ | 90° |
| Cell volume | 913 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0798 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1332 |
| Weighted residual factors for all reflections included in the refinement | 0.1425 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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