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Information card for entry 1542301
Preview
| Coordinates | 1542301.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [cis-(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)(=C2N(C=CN2CN2C=1N(C=C2)CCCC)CCCC)c1ccccc1c1sc2c(cccc2)[n]31.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 | 15.8141 ± 0.0006 Å |
| b | 16.3895 ± 0.0006 Å |
| c | 18.8888 ± 0.0007 Å |
| α | 67.048 ± 0.0019° |
| β | 67.5521 ± 0.0017° |
| γ | 82.559 ± 0.002° |
| Cell volume | 4165.4 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2365 |
| Residual factor for significantly intense reflections | 0.1713 |
| Weighted residual factors for significantly intense reflections | 0.3922 |
| Weighted residual factors for all reflections included in the refinement | 0.4436 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| 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. |
1542301.cif |
| 174654 | 2016-01-21 | cif/ Adding structures of 1542299, 1542300, 1542301, 1542302 via cif-deposit CGI script. |
1542301.cif |
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