Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4346694
Preview
| Coordinates | 4346694.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 13242 |
|---|---|
| Formula | C21 H24 Co Cu N7 |
| Calculated formula | C21 H24 Co Cu N7 |
| Title of publication | Influence of Copper Oxidation State on the Bonding and Electronic Structure of Cobalt-Copper Complexes. |
| Authors of publication | Eisenhart, Reed J.; Carlson, Rebecca K.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 23 |
| Pages of publication | 11330 - 11338 |
| a | 18.8953 ± 0.0017 Å |
| b | 18.8953 ± 0.0017 Å |
| c | 11.191 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3460.2 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 169 |
| Hermann-Mauguin space group symbol | P 61 |
| Hall space group symbol | P 61 |
| Residual factor for all reflections | 0.0931 |
| Residual factor for significantly intense reflections | 0.0578 |
| Weighted residual factors for significantly intense reflections | 0.1134 |
| Weighted residual factors for all reflections included in the refinement | 0.1241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.946 |
| Diffraction radiation wavelength | 0.41328 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231927 (current) | 2019-11-23 | cif/ Adding structures of 4346692, 4346693, 4346694 via cif-deposit CGI script. |
4346694.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.