Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7718377
Preview
| Coordinates | 7718377.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C102.5 H138 F6 Ir8 N16 O6 S2 |
|---|---|
| Calculated formula | C102.5 H138 F6 Ir8 N16 O6 S2 |
| Title of publication | Synthesis and characterization of 15N-labeled tetranuclear Ir complexes via Li2C15N2 |
| Authors of publication | Yan, Xuechao; Ji, Shu-Xiao; Zhang, Shengyuan; Wang, Qianru; Guo, Jianping; Chen, Ping; Xi, Zhenfeng; Wei, Junnian |
| Journal of publication | Dalton Transactions |
| Year of publication | 2025 |
| a | 13.2902 ± 0.0004 Å |
| b | 20.7356 ± 0.0006 Å |
| c | 22.0373 ± 0.0006 Å |
| α | 68.321 ± 0.003° |
| β | 85.575 ± 0.002° |
| γ | 75.402 ± 0.003° |
| Cell volume | 5460.4 ± 0.3 Å3 |
| Cell temperature | 179.99 ± 0.1 K |
| Ambient diffraction temperature | 179.99 ± 0.1 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 | 0.0507 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections included in the refinement | 0.0837 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298531 (current) | 2025-03-20 | cif/ Adding structures of 7718376, 7718377, 7718378 via cif-deposit CGI script. |
7718377.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.