Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4518577
Preview
| Coordinates | 4518577.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H29 F9 Ir N5 O2 |
|---|---|
| Calculated formula | C38 H29 F9 Ir N5 O2 |
| Title of publication | Rational Tuning of Bis-Tridentate Ir(III) Phosphors to Deep-Blue with High Efficiency and Sub-microsecond Lifetime |
| Authors of publication | Tai, Wun-Shan; Gnanasekaran, Premkumar; Chen, Yi-Yang; Hung, Wen-Yi; Zhou, Xiuwen; Chou, Tai-Che; Lee, Gene-Hsiang; Chou, Pi-Tai; You, Caifa; Chi, Yun |
| Journal of publication | ACS Applied Materials & Interfaces |
| Year of publication | 2021 |
| a | 11.3831 ± 0.0005 Å |
| b | 21.3979 ± 0.0009 Å |
| c | 15.0936 ± 0.0007 Å |
| α | 90° |
| β | 106.685 ± 0.0012° |
| γ | 90° |
| Cell volume | 3521.6 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0447 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.066 |
| Weighted residual factors for all reflections included in the refinement | 0.0733 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263293 (current) | 2021-03-25 | cif/ Adding structures of 4518577 via cif-deposit CGI script. |
4518577.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.