Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4115373
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4115373.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H46 N2 P2 Ru |
---|---|
Calculated formula | C42 H46 N2 P2 Ru |
SMILES | [RuH]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[NH2]C(C(N1)(C)C)(C)C |
Title of publication | Mechanism of the Hydrogenation of Ketones Catalyzed by trans-Dihydrido(diamine)ruthenium(II) Complexes |
Authors of publication | Kamaluddin Abdur-Rashid; Sean E. Clapham; Alen Hadzovic; Jeremy N. Harvey; Alan J. Lough; Robert H. Morris |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 15104 - 15118 |
a | 11.109 ± 0.0002 Å |
b | 11.976 ± 0.0002 Å |
c | 14.251 ± 0.0002 Å |
α | 88.465 ± 0.0007° |
β | 76.124 ± 0.0007° |
γ | 77.973 ± 0.0007° |
Cell volume | 1799.7 ± 0.05 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.031 |
Residual factor for significantly intense reflections | 0.0268 |
Weighted residual factors for significantly intense reflections | 0.0645 |
Weighted residual factors for all reflections included in the refinement | 0.0671 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.7107 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/4115373.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.