Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4347795
Preview
| Coordinates | 4347795.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32.5 H27 Cl6 N6 Re |
|---|---|
| Calculated formula | C32.5 H27 Cl6 N6 Re |
| Title of publication | Structural and Spectroscopic Characterization of Rhenium Complexes Containing Neutral, Monoanionic, and Dianionic Ligands of 2,2'-Bipyridines and 2,2':6,2″-Terpyridines: An Experimental and Density Functional Theory (DFT)-Computational Study. |
| Authors of publication | Wang, Mei; Weyhermüller, Thomas; Bill, Eckhard; Ye, Shengfa; Wieghardt, Karl |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 10 |
| Pages of publication | 5019 - 5036 |
| a | 16.5197 ± 0.0009 Å |
| b | 21.126 ± 0.002 Å |
| c | 20.0004 ± 0.0014 Å |
| α | 90° |
| β | 101.754 ± 0.005° |
| γ | 90° |
| Cell volume | 6833.7 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0484 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0941 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232503 (current) | 2019-11-23 | cif/ Adding structures of 4347790, 4347791, 4347792, 4347793, 4347794, 4347795, 4347796, 4347797 via cif-deposit CGI script. |
4347795.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.