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Information card for entry 1550486
Preview
| Coordinates | 1550486.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H37 Cl4 Ir N4 O6 |
|---|---|
| Calculated formula | C52.999 H36.998 Cl3.998 Ir N4 O6 |
| Title of publication | B- and N-embedded color-tunable phosphorescent iridium complexes and B−N lewis adducts with intriguing structural and optical changes |
| Authors of publication | li, qiuxia; Shi, Chao; Huang, Manli; Wei, Xing; Yan, Hong; Yang, Chuluo; Yuan, Aihua |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 9.758 ± 0.003 Å |
| b | 13.838 ± 0.004 Å |
| c | 18.798 ± 0.005 Å |
| α | 103.599 ± 0.002° |
| β | 104.123 ± 0.002° |
| γ | 101.639 ± 0.002° |
| Cell volume | 2300.4 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0534 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.056 |
| Weighted residual factors for all reflections included in the refinement | 0.0594 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213213 (current) | 2019-01-19 | cif/ Adding structures of 1550486, 1550487, 1550488, 1550489, 1550490, 1550491, 1550492 via cif-deposit CGI script. |
1550486.cif |
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Users of the data should acknowledge the original authors of the
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