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Information card for entry 4064822
Preview
Coordinates | 4064822.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [(CF3PCP)(u-CF3PCPH)Ru(H)]2 |
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Formula | C20 H20 F12 P2 Ru |
Calculated formula | C20 H20 F12 P2 Ru |
SMILES | [RuH]12345([P](Cc6c2c(ccc6)C[P]1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)[CH]1=[CH]3CC[CH]4=[CH]5CC1 |
Title of publication | Acceptor Pincer Chemistry of Ruthenium: Catalytic Alkane Dehydrogenation by (CF3PCP)Ru(cod)(H) |
Authors of publication | Gruver, Brian C.; Adams, Jeramie J.; Warner, Seth J.; Arulsamy, Navamoney; Roddick, Dean M. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 19 |
Pages of publication | 5133 |
a | 9.5162 ± 0.0001 Å |
b | 18.0336 ± 0.0002 Å |
c | 13.7718 ± 0.0002 Å |
α | 90° |
β | 103.584 ± 0.001° |
γ | 90° |
Cell volume | 2297.28 ± 0.05 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0589 |
Residual factor for significantly intense reflections | 0.0425 |
Weighted residual factors for significantly intense reflections | 0.0979 |
Weighted residual factors for all reflections included in the refinement | 0.1069 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/4064822.html
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