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Information card for entry 7117861
Preview
| Coordinates | 7117861.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50.5 H49 O2 P Ru S2 Si |
|---|---|
| Calculated formula | C50.5 H49 O2 P Ru S2 Si |
| Title of publication | Si-H activation by means of metal ligand cooperation in a methandiide derived carbene complex |
| Authors of publication | Julia Weismann; Viktoria H. Gessner |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 14909 |
| a | 9.3712 ± 0.0007 Å |
| b | 13.5265 ± 0.0009 Å |
| c | 17.6717 ± 0.0012 Å |
| α | 97.379 ± 0.002° |
| β | 97.74 ± 0.002° |
| γ | 101.302 ± 0.002° |
| Cell volume | 2148.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0369 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0756 |
| Weighted residual factors for all reflections included in the refinement | 0.0803 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7117861.cif |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7117861.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7117861.cif |
| 158312 | 2015-09-25 | cif/ Adding structures of 7117860, 7117861, 7117862 via cif-deposit CGI script. |
7117861.cif |
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Users of the data should acknowledge the original authors of the
structural data.