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Information card for entry 4120724
Preview
Coordinates | 4120724.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1g |
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Formula | C32 H36 Ir N2 O2 |
Calculated formula | C32 H36 Ir N2 O2 |
SMILES | [Ir]123(OC(=O)C)(=C4N(C(C)C)c5cccc6cccc(N4c4cc(cc(c4)C)C)c56)[CH]4=[CH]1CC[CH]2=[CH]3CC4 |
Title of publication | Hemilabile N-Xylyl-N'-methylperimidine Carbene Iridium Complexes as Catalysts for C-H Activation and Dehydrogenative Silylation: Dual Role of N-Xylyl Moiety for ortho-C-H Bond Activation and Reductive Bond Cleavage |
Authors of publication | Gyeongshin Choi; Hayato Tsurugi; Kazushi Mashima |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 13149 - 13161 |
a | 11.95 ± 0.002 Å |
b | 12.2366 ± 0.001 Å |
c | 18.754 ± 0.002 Å |
α | 79.999 ± 0.013° |
β | 89.465 ± 0.018° |
γ | 87.969 ± 0.013° |
Cell volume | 2699 ± 0.6 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0961 |
Residual factor for significantly intense reflections | 0.0827 |
Weighted residual factors for significantly intense reflections | 0.2117 |
Weighted residual factors for all reflections included in the refinement | 0.2445 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
Diffraction radiation wavelength | 0.71075 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/4120724.html
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Users of the data should acknowledge the original authors of the
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