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Information card for entry 4087857
Preview
| Coordinates | 4087857.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60.5 H49 Cl3 Ir P3 S |
|---|---|
| Calculated formula | C60.5 H49 Cl3 Ir P3 S |
| Title of publication | Sequential Construction Strategy for Rational Design of Luminescent Iridacycles |
| Authors of publication | Xu, Hui; Huang, Zi-Ao; Guo, Xugeng; Yang, Yuhui; Hua, Yuhui; Cao, Zexing; Li, Shunhua; Xia, Haiping |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 17 |
| Pages of publication | 4229 |
| a | 19.3863 ± 0.0012 Å |
| b | 12.2127 ± 0.0009 Å |
| c | 22.1604 ± 0.0014 Å |
| α | 90° |
| β | 90.674 ± 0.005° |
| γ | 90° |
| Cell volume | 5246.3 ± 0.6 Å3 |
| Cell temperature | 128 K |
| Ambient diffraction temperature | 128 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 | 0.0899 |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for significantly intense reflections | 0.1285 |
| Weighted residual factors for all reflections included in the refinement | 0.1385 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237052 (current) | 2019-11-24 | cif/ Adding structures of 4087852, 4087853, 4087854, 4087855, 4087856, 4087857, 4087858, 4087859 via cif-deposit CGI script. |
4087857.cif |
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Users of the data should acknowledge the original authors of the
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