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Information card for entry 4111426
Preview
Coordinates | 4111426.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H55 N2 O2 P3 Ru |
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Calculated formula | C54 H55 N2 O2 P3 Ru |
SMILES | [RuH]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(OP(=O)(c2ccccc2)c2ccccc2)[NH2][C@H]2[C@H]([NH2]1)CCCC2 |
Title of publication | A Succession of Isomers of Ruthenium Dihydride Complexes. Which One Is the Ketone Hydrogenation Catalyst? |
Authors of publication | Robert Abbel; Kamaluddin Abdur-Rashid; Michael Faatz; Alen Hadzovic; Alan J. Lough; Robert H. Morris |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2005 |
Journal volume | 127 |
Pages of publication | 1870 - 1882 |
a | 11.0741 ± 0.0002 Å |
b | 13.71 ± 0.0003 Å |
c | 16.8074 ± 0.0003 Å |
α | 84.21 ± 0.001° |
β | 82.089 ± 0.001° |
γ | 67.678 ± 0.001° |
Cell volume | 2334.82 ± 0.08 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0441 |
Residual factor for significantly intense reflections | 0.0352 |
Weighted residual factors for significantly intense reflections | 0.0726 |
Weighted residual factors for all reflections included in the refinement | 0.0761 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/4111426.html
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