Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4346061
Preview
| Coordinates | 4346061.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H22 Fe N12 |
|---|---|
| Calculated formula | C32 H22 Fe N12 |
| Title of publication | High-temperature spin crossover in two solvent-free coordination polymers with unusual high thermal stability. |
| Authors of publication | Liu, Wei; Bao, Xin; Li, Jin-Yan; Qin, Yu-Lian; Chen, Yan-Cong; Ni, Zhao-Ping; Tong, Ming-Liang |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 6 |
| Pages of publication | 3006 - 3011 |
| a | 8.394 ± 0.004 Å |
| b | 16.315 ± 0.007 Å |
| c | 11.137 ± 0.006 Å |
| α | 90° |
| β | 98.164 ± 0.015° |
| γ | 90° |
| Cell volume | 1509.7 ± 1.3 Å3 |
| Cell temperature | 373 ± 2 K |
| Ambient diffraction temperature | 373 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1183 |
| Residual factor for significantly intense reflections | 0.0815 |
| Weighted residual factors for significantly intense reflections | 0.1918 |
| Weighted residual factors for all reflections included in the refinement | 0.2444 |
| 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 |
|---|---|---|---|
| 231603 (current) | 2019-11-22 | cif/ Adding structures of 4346060, 4346061, 4346062, 4346063, 4346064, 4346065 via cif-deposit CGI script. |
4346061.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.