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Information card for entry 4077512
Preview
| Coordinates | 4077512.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H46 N2 P2 Ru |
|---|---|
| Calculated formula | C42 H46 N2 P2 Ru |
| SMILES | [RuH2]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[NH2][C@H]2[C@H]([NH2]1)CCCC2 |
| Title of publication | Ruthenium Dihydride RuH2(PPh3)2((R,R)-cyclohexyldiamine) and Ruthenium Monohydride RuHCl(PPh3)2((R,R)-cyclohexyldiamine): Active Catalyst and Catalyst Precursor for the Hydrogenation of Ketones and Imines |
| Authors of publication | Abdur-Rashid, Kamaluddin; Lough, Alan J.; Morris, Robert H. |
| Journal of publication | Organometallics |
| Year of publication | 2000 |
| Journal volume | 19 |
| Journal issue | 14 |
| Pages of publication | 2655 |
| a | 8.9595 ± 0.0002 Å |
| b | 17.7941 ± 0.0006 Å |
| c | 12.1757 ± 0.0004 Å |
| α | 90° |
| β | 103.688 ± 0.002° |
| γ | 90° |
| Cell volume | 1886 ± 0.1 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0455 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0648 |
| Weighted residual factors for all reflections included in the refinement | 0.0677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209531 (current) | 2018-08-10 | cif/4/ Removing duplicate rows from the ATOM_TYPE loop in entries 4027882, 4063366, 4072663, 4072770, 4072771, 4074460, 4075100, 4076241, 4076242, 4076244, 4077512, 4080938, 4081765, 4082054, 4082696, 4084845, 4101406, 4101407, 4101408, 4107704, 4108487, 4109677. |
4077512.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4077512.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4077512.cif |
| 54603 | 2012-04-28 | cif/ Adding structures of 4077512 via cif-deposit CGI script. |
4077512.cif |
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Users of the data should acknowledge the original authors of the
structural data.