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Information card for entry 4085678
Preview
| Coordinates | 4085678.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H28 Br2 Cl3 N2 O2 Ru |
|---|---|
| Calculated formula | C23 H28 Br2 Cl3 N2 O2 Ru |
| SMILES | [cH]12[cH]3[c]4([cH]5[cH]6[c]71CN1C(N(c8ccccc18)CC(OC)OC)=[Ru]234567(Br)Br)C(C)(C)C.C(Cl)(Cl)Cl |
| 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 | 13.308 ± 0.0007 Å |
| b | 10.4183 ± 0.0008 Å |
| c | 20.6079 ± 0.0011 Å |
| α | 90° |
| β | 108.536 ± 0.004° |
| γ | 90° |
| Cell volume | 2709 ± 0.3 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 7 |
| 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 | 0.1286 |
| Residual factor for significantly intense reflections | 0.0721 |
| Weighted residual factors for significantly intense reflections | 0.1725 |
| Weighted residual factors for all reflections included in the refinement | 0.1947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.925 |
| 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. |
4085678.cif |
| 140223 | 2015-07-05 | cif/ Updating files of 4085678, 4085679 Original log message: Adding full bibliography for 4085678--4085679.cif. |
4085678.cif |
| 135782 | 2015-05-09 | cif/ Adding structures of 4085678, 4085679 via cif-deposit CGI script. |
4085678.cif |
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