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Information card for entry 4069192
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Coordinates | 4069192.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | jonll21 |
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Formula | C24 H27 Cl Ir N O |
Calculated formula | C24 H27 Cl Ir N O |
SMILES | [Ir]12345(c6cc(OC)ccc6C=[N]1c1ccccc1)(Cl)[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 | 13.7783 ± 0.0016 Å |
b | 8.4613 ± 0.001 Å |
c | 18.09 ± 0.002 Å |
α | 90° |
β | 93.479 ± 0.002° |
γ | 90° |
Cell volume | 2105.1 ± 0.4 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 6 |
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 | 0.0201 |
Residual factor for significantly intense reflections | 0.0171 |
Weighted residual factors for significantly intense reflections | 0.0378 |
Weighted residual factors for all reflections included in the refinement | 0.0388 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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