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Information card for entry 4069213
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Coordinates | 4069213.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | jonll55 |
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Formula | C22 H25 Cl N Rh |
Calculated formula | C22 H25 Cl N Rh |
SMILES | [Rh]12345(Cl)([n]6c(c7c1ccc(c7)C)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 | 7.42 ± 0.0005 Å |
b | 14.2523 ± 0.001 Å |
c | 17.9872 ± 0.0013 Å |
α | 90° |
β | 100.626 ± 0.001° |
γ | 90° |
Cell volume | 1869.6 ± 0.2 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 5 |
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 | 0.0726 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for significantly intense reflections | 0.0731 |
Weighted residual factors for all reflections included in the refinement | 0.0805 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.856 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4069213.html
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