Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7059028
Preview
| Coordinates | 7059028.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H11 Br Cl2 N2 O9 Ru3 |
|---|---|
| Calculated formula | C22 H11 Br Cl2 N2 O9 Ru3 |
| Title of publication | Activation reactions of 2-pyridyl and 2-pyrimidinyl alkynes with Ru3(CO)12 |
| Authors of publication | Li, Shasha; Xu, Lei; Jiang, Liping; Zhang, Guofang; Zhang, Wei-Qiang; Gao, Ziwei |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| a | 8.0005 ± 0.0016 Å |
| b | 11.922 ± 0.002 Å |
| c | 14.299 ± 0.003 Å |
| α | 91.869 ± 0.007° |
| β | 94.132 ± 0.007° |
| γ | 106.036 ± 0.007° |
| Cell volume | 1305.4 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0415 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.066 |
| Weighted residual factors for all reflections included in the refinement | 0.0702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225388 (current) | 2019-11-08 | cif/ Adding structures of 7059020, 7059021, 7059022, 7059023, 7059024, 7059025, 7059026, 7059027, 7059028, 7059029 via cif-deposit CGI script. |
7059028.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.