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Information card for entry 4069214
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Coordinates | 4069214.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | jonll33 |
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Formula | C22 H22 Cl F3 N Rh |
Calculated formula | C22 H22 Cl F3 N Rh |
SMILES | [Rh]12345(Cl)([n]6c(c7c1ccc(c7)C(F)(F)F)cccc6)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C |
Title of publication | C−H Activation of Phenyl Imines and 2-Phenylpyridines with [Cp*MCl2]2(M = Ir, Rh): Regioselectivity, Kinetics, and Mechanism |
Authors of publication | Li, Ling; Brennessel, William W.; Jones, William D. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 12 |
Pages of publication | 3492 |
a | 8.8399 ± 0.001 Å |
b | 11.2399 ± 0.0013 Å |
c | 11.4866 ± 0.0013 Å |
α | 64.511 ± 0.002° |
β | 84.041 ± 0.002° |
γ | 82.188 ± 0.002° |
Cell volume | 1019.3 ± 0.2 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0383 |
Residual factor for significantly intense reflections | 0.0303 |
Weighted residual factors for significantly intense reflections | 0.0663 |
Weighted residual factors for all reflections included in the refinement | 0.07 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/4069214.html
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