Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4344571
Preview
| Coordinates | 4344571.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C80 H88 Cl8 Co4 N32 O32 |
|---|---|
| Calculated formula | C80 H88 Cl8 Co4 N32 O32 |
| Title of publication | Redox Modulation of Spin Crossover within a Cobalt Metallogrid. |
| Authors of publication | Shen, Fuxing; Huang, Wei; Wu, Dayu; Zheng, Zhe; Huang, Xing-Cai; Sato, Osamu |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 2 |
| Pages of publication | 902 - 908 |
| a | 15.857 ± 0.003 Å |
| b | 19.272 ± 0.004 Å |
| c | 23.286 ± 0.004 Å |
| α | 87.342 ± 0.005° |
| β | 74.832 ± 0.005° |
| γ | 73.034 ± 0.005° |
| Cell volume | 6566 ± 2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2371 |
| Residual factor for significantly intense reflections | 0.1069 |
| Weighted residual factors for significantly intense reflections | 0.2237 |
| Weighted residual factors for all reflections included in the refinement | 0.254 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4344571.cif |
| 175504 | 2016-02-04 | cif/ Adding structures of 4344570, 4344571, 4344572 via cif-deposit CGI script. |
4344571.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.