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Information card for entry 4119314
Preview
Coordinates | 4119314.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H32 Cl2 F9 N P2 Ru |
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Calculated formula | C38 H32 Cl2 F9 N P2 Ru |
SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Ru]162345(c2cccc[n+]2[CH]1=[CH]6c1ccc(C(F)(F)F)cc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Ruthenium-Mediated C-H Functionalization of Pyridine: The Role of Vinylidene and Pyridylidene Ligands |
Authors of publication | David G. Johnson; Jason M. Lynam; Neetisha S. Mistry; John M. Slattery; Robert J. Thatcher; Adrian C. Whitwood |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 2222 - 2234 |
a | 10.7329 ± 0.0003 Å |
b | 18.4072 ± 0.0004 Å |
c | 18.7217 ± 0.0005 Å |
α | 90° |
β | 91.511 ± 0.003° |
γ | 90° |
Cell volume | 3697.42 ± 0.16 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 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 | 0.0502 |
Residual factor for significantly intense reflections | 0.0373 |
Weighted residual factors for significantly intense reflections | 0.0762 |
Weighted residual factors for all reflections included in the refinement | 0.082 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4119314.html
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