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Information card for entry 4073166
Preview
Coordinates | 4073166.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H66 Cl2 N2 P2 Ru |
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Calculated formula | C46 H50 Cl2 N2 P2 Ru |
SMILES | [Ru]12(Cl)(Cl)([P](C[C@@H]3[C@@H](C[P]1(c1ccccc1)c1ccccc1)CCCC3)(c1ccccc1)c1ccccc1)[NH2][C@@H]([C@H]([NH2]2)c1ccccc1)c1ccccc1 |
Title of publication | Asymmetric Hydrogenation of Ketones with Ruthenium Complexes ofrac- and Enantiopure (S,S)-1,2-Bis((diphenylphosphino)methyl)cyclohexane: A Comparative Study withrac- and (R)-BINAP |
Authors of publication | Doherty, Simon; Knight, Julian G.; Bell, Adam L.; Harrington, Ross W.; Clegg, William |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 9 |
Pages of publication | 2465 |
a | 15.39 ± 0.003 Å |
b | 16.69 ± 0.005 Å |
c | 21.375 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5490 ± 3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0511 |
Residual factor for significantly intense reflections | 0.0413 |
Weighted residual factors for significantly intense reflections | 0.1092 |
Weighted residual factors for all reflections included in the refinement | 0.1132 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4073166.html
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