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Information card for entry 4088867
Preview
| Coordinates | 4088867.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H45 Cl3 F6 N8 O6 Ru S2 |
|---|---|
| Calculated formula | C40 H45 Cl3 F6 N8 O6 Ru S2 |
| Title of publication | Bonding and Catalytic Application of Ruthenium N-Heterocyclic Carbene Complexes Featuring Triazole, Triazolylidene, and Imidazolylidene Ligands |
| Authors of publication | Hollering, Manuela; Albrecht, Martin; Kühn, Fritz E. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 17 |
| Pages of publication | 2980 |
| a | 11.995 ± 0.011 Å |
| b | 13.749 ± 0.013 Å |
| c | 16.487 ± 0.014 Å |
| α | 102.55 ± 0.04° |
| β | 92.32 ± 0.04° |
| γ | 97.57 ± 0.04° |
| Cell volume | 2624 ± 4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0744 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.1394 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237864 (current) | 2019-11-24 | cif/ Adding structures of 4088866, 4088867, 4088868 via cif-deposit CGI script. |
4088867.cif |
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Users of the data should acknowledge the original authors of the
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