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Information card for entry 7131783
Preview
Coordinates | 7131783.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [ 2-((3-mesityl-2H-1l4,3l4-imidazol-1-yl)methyl)pyridine-kappa2 N1 C2)=eta 3 p-cymene] Iridium (I) carbonyl chloride |
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Formula | C19 H19 Cl Ir N3 O |
Calculated formula | C19 H19 Cl Ir N3 O |
Title of publication | An ambient pressure, direct hydrogenation of ketones. |
Authors of publication | Zhang, Long; Lu, Zhiyao; Rander, Andrew R.; Williams, Travis J. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2023 |
Journal volume | 59 |
Journal issue | 52 |
Pages of publication | 8107 - 8110 |
a | 8.718 ± 0.0002 Å |
b | 15.1641 ± 0.0003 Å |
c | 14.4976 ± 0.0003 Å |
α | 90° |
β | 106.108 ± 0.002° |
γ | 90° |
Cell volume | 1841.35 ± 0.07 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0377 |
Residual factor for significantly intense reflections | 0.0251 |
Weighted residual factors for significantly intense reflections | 0.0457 |
Weighted residual factors for all reflections included in the refinement | 0.0501 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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