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Information card for entry 4065105
Preview
| Coordinates | 4065105.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | BzRuCl(m-MeNacNacMe) |
|---|---|
| Formula | C27 H31 Cl N2 Ru |
| Calculated formula | C27 H31 Cl N2 Ru |
| SMILES | [Ru]123456(Cl)(N(c7cc(C)cc(C)c7)C(=CC(C)=[N]1c1cc(C)cc(C)c1)C)[cH]1[cH]2[cH]3[cH]4[cH]5[cH]61 |
| Title of publication | Application of Electron-Withdrawing Coordinatively Unsaturated η6-Arene β-Diketiminato‒Ruthenium Complexes in Lewis Acid Catalyzed Diels‒Alder Reactions |
| Authors of publication | Schreiber, Dominique F.; Ortin, Yannick; Müller-Bunz, Helge; Phillips, Andrew D. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 20 |
| Pages of publication | 5381 |
| a | 12.826 ± 0.0005 Å |
| b | 7.7523 ± 0.0003 Å |
| c | 23.5141 ± 0.0008 Å |
| α | 90° |
| β | 92.823 ± 0.003° |
| γ | 90° |
| Cell volume | 2335.19 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0385 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0593 |
| Weighted residual factors for all reflections included in the refinement | 0.0624 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178544 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/51. |
4065105.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065105.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065105.cif |
| 33157 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4065104, 4065105, 4065106, 4065107, 4065108, 4065109, 4065110, 4065111 via cif-deposit CGI script. |
4065105.cif |
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