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Information card for entry 4081946
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Coordinates | 4081946.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Et3NH+[(CF3-PCP)Os(H)Cl2]- |
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Formula | C19 H23 Cl2 F12 N O Os P2 |
Calculated formula | C19 H23 Cl2 F12 N O Os P2 |
SMILES | [Os]12([P](Cc3c2c(ccc3)C[P]1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)(Cl)(Cl)C#[O].[NH+](CC)(CC)CC |
Title of publication | Acceptor Pincer Chemistry of Osmium: Catalytic Alkane Dehydrogenation by (CF3PCP)Os(cod)(H) |
Authors of publication | Gruver, Brian C.; Adams, Jeramie J.; Arulsamy, Navamoney; Roddick, Dean M. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 21 |
Pages of publication | 6468 |
a | 10.5341 ± 0.0002 Å |
b | 10.8526 ± 0.0002 Å |
c | 13.1145 ± 0.0003 Å |
α | 86.941 ± 0.001° |
β | 85.725 ± 0.001° |
γ | 67.69 ± 0.001° |
Cell volume | 1382.68 ± 0.05 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0445 |
Residual factor for significantly intense reflections | 0.0319 |
Weighted residual factors for significantly intense reflections | 0.0663 |
Weighted residual factors for all reflections included in the refinement | 0.0714 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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/4081946.html
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