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Information card for entry 7230167
Preview
| Coordinates | 7230167.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H27 F Ir N O |
|---|---|
| Calculated formula | C30 H27 F Ir N O |
| 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 | 13.146 ± 0.0004 Å |
| b | 14.8634 ± 0.0004 Å |
| c | 27.0887 ± 0.0009 Å |
| α | 82.995 ± 0.002° |
| β | 79.253 ± 0.003° |
| γ | 89.665 ± 0.002° |
| Cell volume | 5160.5 ± 0.3 Å3 |
| Cell temperature | 157.39 ± 0.15 K |
| Ambient diffraction temperature | 157.39 ± 0.15 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1063 |
| Residual factor for significantly intense reflections | 0.0836 |
| Weighted residual factors for significantly intense reflections | 0.1982 |
| Weighted residual factors for all reflections included in the refinement | 0.2121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206443 (current) | 2018-02-15 | cif/ Adding structures of 7230161, 7230162, 7230163, 7230164, 7230165, 7230166, 7230167 via cif-deposit CGI script. |
7230167.cif |
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Users of the data should acknowledge the original authors of the
structural data.