Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7710872
Preview
| Coordinates | 7710872.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1-100K |
|---|---|
| Formula | C104 H110 B2 Cl6 Fe6 N34 O26 |
| Calculated formula | C104 H110 B2 Cl6 Fe6 N34 O26 |
| Title of publication | Mixed-valence {FeII2FeIII4} hexanuclear complexes with thermally induced Fe(III) spin crossover behavior |
| Authors of publication | Jia, Shuwen; Fan, Lingyue; Zheng, Chun-Yang; Jin, Sai; Li, Dongfeng |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 25.026 ± 0.002 Å |
| b | 22.1299 ± 0.0019 Å |
| c | 24.392 ± 0.002 Å |
| α | 90° |
| β | 96.767 ± 0.002° |
| γ | 90° |
| Cell volume | 13414.7 ± 1.9 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0688 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1172 |
| Weighted residual factors for all reflections included in the refinement | 0.1343 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277019 (current) | 2022-07-31 | cif/ Adding structures of 7710870, 7710871, 7710872, 7710873, 7710874, 7710875, 7710876 via cif-deposit CGI script. |
7710872.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.