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Information card for entry 1542300
Preview
| Coordinates | 1542300.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [(Hbta)2Ir(dib)]OTf |
|---|---|
| Formula | C42 H40 F3 Ir N6 O3 S3 |
| Calculated formula | C42 H40 F3 Ir N6 O3 S3 |
| SMILES | [Ir]123([n]4c(sc5ccccc45)c4c2cccc4)([n]2c(sc4c2cccc4)c2c1cccc2)=C1N(CN2C=3N(CCCC)C=C2)C=CN1CCCC.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging |
| Authors of publication | Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 5 |
| Pages of publication | 3123 |
| a | 13.346 ± 0.0005 Å |
| b | 19.6302 ± 0.0007 Å |
| c | 30.1437 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7897.2 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0228 |
| Residual factor for significantly intense reflections | 0.0227 |
| Weighted residual factors for significantly intense reflections | 0.0588 |
| Weighted residual factors for all reflections included in the refinement | 0.059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.127 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182618 (current) | 2016-05-06 | cif/ Updating files of 1542299, 1542300, 1542301, 1542302 Original log message: Adding full bibliography for 1542299--1542302.cif. |
1542300.cif |
| 174654 | 2016-01-21 | cif/ Adding structures of 1542299, 1542300, 1542301, 1542302 via cif-deposit CGI script. |
1542300.cif |
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Users of the data should acknowledge the original authors of the
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