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Information card for entry 1558696
Preview
Coordinates | 1558696.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H47 Cl Ir N |
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Calculated formula | C30 H47 Cl Ir N |
SMILES | CC(C)c1cccc(c1N1C(C)(C)CC(C1=[Ir]123([CH]4CC[CH]1=[CH]2CC[CH]3=4)Cl)(CC)CC)C(C)C |
Title of publication | Efficient methanol carbonylation to methyl acetate catalyzed by a cyclic(alkyl)(amino)carbene iridium complex |
Authors of publication | Zhang, Dejin; Yang, Guoqiang; Zhao, Yue; Shao, Shouyan; Zhu, Guisheng; Liu, Peijun; Liu, Jia; Hu, Xingbang; Zhang, Zhibing |
Journal of publication | Catalysis Science & Technology |
Year of publication | 2020 |
Journal volume | 10 |
Journal issue | 17 |
Pages of publication | 6045 - 6049 |
a | 10.1037 ± 0.0006 Å |
b | 11.6662 ± 0.0007 Å |
c | 23.623 ± 0.0015 Å |
α | 90° |
β | 97.789 ± 0.002° |
γ | 90° |
Cell volume | 2758.8 ± 0.3 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0487 |
Residual factor for significantly intense reflections | 0.0461 |
Weighted residual factors for significantly intense reflections | 0.1211 |
Weighted residual factors for all reflections included in the refinement | 0.1231 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1558696.html
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