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Information card for entry 7230161
Preview
Coordinates | 7230161.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H25 Cl3 N O Rh |
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Calculated formula | C23 H25 Cl3 N O Rh |
SMILES | [Rh]12345(Cl)([c]6([c]4([c]5([c]3([c]26C)C)C)C)C)[n]2ccccc2C(=O)c2c1cccc2.ClCCl |
Title of publication | Aromatic alkyne insertion into six-membered cyclometalated pyridine complexes of iridium: different insertion modes and structurally novel products |
Authors of publication | Chu, Xiaodan; Zhang, Shaowei; Wang, Zhuo; Li, Tongyu; Zhu, Bolin |
Journal of publication | RSC Advances |
Year of publication | 2018 |
Journal volume | 8 |
Journal issue | 13 |
Pages of publication | 7164 |
a | 26.166 ± 0.005 Å |
b | 10.162 ± 0.002 Å |
c | 8.6509 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2300.3 ± 0.8 Å3 |
Cell temperature | 104.66 ± 0.14 K |
Ambient diffraction temperature | 104.66 ± 0.14 K |
Number of distinct elements | 6 |
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 | 0.0323 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for significantly intense reflections | 0.0757 |
Weighted residual factors for all reflections included in the refinement | 0.0765 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 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/7230161.html
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structural data.