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Information card for entry 4064143
Preview
Coordinates | 4064143.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H27 Cl F6 N3 Os P |
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Calculated formula | C21 H27 Cl F6 N3 Os P |
SMILES | [Os]123456(Cl)([NH2]Cc7c(N8C=1N(C=C8)C)cccc7)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Mechanistic Investigation of the Hydrogenation of Ketones Catalyzed by a Ruthenium(II) Complex Featuring an N-Heterocyclic Carbene with a Tethered Primary Amine Donor: Evidence for an Inner Sphere Mechanism |
Authors of publication | O, Wylie W. N.; Lough, Alan J.; Morris, Robert H. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 5 |
Pages of publication | 1236 |
a | 12.781 ± 0.0015 Å |
b | 16.89 ± 0.002 Å |
c | 13.5646 ± 0.0016 Å |
α | 90° |
β | 113.406 ± 0.009° |
γ | 90° |
Cell volume | 2687.3 ± 0.6 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 7 |
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 | 0.0954 |
Residual factor for significantly intense reflections | 0.0598 |
Weighted residual factors for significantly intense reflections | 0.1359 |
Weighted residual factors for all reflections included in the refinement | 0.152 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
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/4064143.html
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