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Information card for entry 4085679
Preview
| Coordinates | 4085679.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H25 Cl2 N2 O2 Ru |
|---|---|
| Calculated formula | C21 H25 Cl2 N2 O2 Ru |
| SMILES | [c]123[c]4([cH]5[c]6([cH]7[c]1(C)[Ru]34567(=C1N(C2)c2c(cccc2)N1CC(OC)OC)(Cl)Cl)C)C |
| Title of publication | N-Alkylation and N,C-Dialkylation of Amines with Alcohols in the Presence of Ruthenium Catalysts with Chelating N-Heterocyclic Carbene Ligands |
| Authors of publication | Şahin, Zeynel; Gürbüz, Nevin; Özdemir, İsmail; Şahin, Onur; Büyükgüngör, Orhan; Achard, Mathieu; Bruneau, Christian |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 11 |
| Pages of publication | 2296 |
| a | 31.0243 ± 0.0019 Å |
| b | 9.7748 ± 0.0004 Å |
| c | 15.0183 ± 0.0009 Å |
| α | 90° |
| β | 108.024 ± 0.005° |
| γ | 90° |
| Cell volume | 4330.9 ± 0.4 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0744 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0768 |
| Weighted residual factors for all reflections included in the refinement | 0.0856 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 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. |
4085679.cif |
| 140223 | 2015-07-05 | cif/ Updating files of 4085678, 4085679 Original log message: Adding full bibliography for 4085678--4085679.cif. |
4085679.cif |
| 135782 | 2015-05-09 | cif/ Adding structures of 4085678, 4085679 via cif-deposit CGI script. |
4085679.cif |
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