Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1542299
Preview
| Coordinates | 1542299.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [(mfpy)2Ir(dib)]PF6 |
|---|---|
| Formula | C57 H59 F6 Ir N7 P |
| Calculated formula | C57 H59 F6 Ir N7 P |
| SMILES | [Ir]123(=C4N(C=CN4CCCC)CN4C=1N(CCCC)C=C4)([n]1c(c4c2cc2c5ccccc5C(c2c4)(C)C)cccc1)[n]1c(c2cc4C(C)(c5ccccc5c4cc32)C)cccc1.[P](F)(F)(F)(F)(F)[F-].C(#N)C |
| 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 | 14.9598 ± 0.0007 Å |
| b | 22.5882 ± 0.0011 Å |
| c | 16.6294 ± 0.0008 Å |
| α | 90° |
| β | 112.453 ± 0.0013° |
| γ | 90° |
| Cell volume | 5193.3 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0706 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1706 |
| Weighted residual factors for all reflections included in the refinement | 0.1799 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| 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. |
1542299.cif |
| 174654 | 2016-01-21 | cif/ Adding structures of 1542299, 1542300, 1542301, 1542302 via cif-deposit CGI script. |
1542299.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.