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Information card for entry 4088247
Preview
| Coordinates | 4088247.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H41 Cl N2 Ru |
|---|---|
| Calculated formula | C32 H41 Cl N2 Ru |
| SMILES | [Ru]1234(Cl)([cH]5[cH]1[cH]2[cH]3[cH]45)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C |
| Title of publication | Half-Sandwich Silane σ-Complexes of Ruthenium Supported by NHC Carbene |
| Authors of publication | Mai, Van Hung; Korobkov, Ilia; Nikonov, Georgii I. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 7 |
| Pages of publication | 936 |
| a | 12.6112 ± 0.0003 Å |
| b | 14.8442 ± 0.0004 Å |
| c | 16.5695 ± 0.0004 Å |
| α | 90° |
| β | 104.464 ± 0.0014° |
| γ | 90° |
| Cell volume | 3003.55 ± 0.13 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0565 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0775 |
| Weighted residual factors for all reflections included in the refinement | 0.0871 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237410 (current) | 2019-11-24 | cif/ Adding structures of 4088247 via cif-deposit CGI script. |
4088247.cif |
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Users of the data should acknowledge the original authors of the
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