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Information card for entry 1552416
Preview
Coordinates | 1552416.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H36 Cl F6 Ir O P2 |
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Calculated formula | C29 H36 Cl F6 Ir O P2 |
SMILES | C(C=C1c2ccccc2c2c1cccc2)(=[Ir]1234([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)(Cl)[P](C)(C)C)OC.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | One-pot syntheses of irida-polycyclic aromatic hydrocarbons |
Authors of publication | Hu, Yuxuan; Zhang, Jing; Wang, Xiaoyan; Lu, Zhengyu; Zhang, Fangfang; Yang, Xiaofei; Ma, Zhihua; Yin, Jun; Xia, Haiping; Liu, Shenghua |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 17.83 ± 0.02 Å |
b | 10.25 ± 0.013 Å |
c | 16.89 ± 0.02 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3087 ± 6 Å3 |
Cell temperature | 180 K |
Ambient diffraction temperature | 180 K |
Number of distinct elements | 7 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0775 |
Residual factor for significantly intense reflections | 0.048 |
Weighted residual factors for significantly intense reflections | 0.1028 |
Weighted residual factors for all reflections included in the refinement | 0.1161 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
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/1552416.html
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