Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7707476
Preview
| Coordinates | 7707476.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C134 H109 B2 Cl2 F4 Ir2 N16 O5.5 |
|---|---|
| Calculated formula | C134 H115 B2 Cl2 F4 Ir2 N16 O4.5 |
| Title of publication | A mitochondria-targeted BODIPY-Ir(III) conjugate as a photoinduced ROS generator for the oxidative destruction of triple-negative breast cancer cells |
| Authors of publication | Qiao, Liping; Liu, Jiangping; Kuang, Shi; Liao, Xinxing; Kou, Junfeng; Ji, Liangnian; Chao, Hui |
| Journal of publication | Dalton Transactions |
| Year of publication | 2021 |
| a | 17.6837 ± 0.0015 Å |
| b | 18.1876 ± 0.0018 Å |
| c | 20.173 ± 0.002 Å |
| α | 93.911 ± 0.005° |
| β | 92.383 ± 0.005° |
| γ | 104.711 ± 0.004° |
| Cell volume | 6249.1 ± 1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1937 |
| Residual factor for significantly intense reflections | 0.0981 |
| Weighted residual factors for significantly intense reflections | 0.2371 |
| Weighted residual factors for all reflections included in the refinement | 0.2726 |
| 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 |
|---|---|---|---|
| 265517 (current) | 2021-05-27 | cif/ Adding structures of 7707476 via cif-deposit CGI script. |
7707476.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.