Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7708536
Preview
| Coordinates | 7708536.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 Cl F2 Fe N4 O6 |
|---|---|
| Calculated formula | C20 H22 Cl F2 Fe N4 O6 |
| Title of publication | Anion-driven supramolecular modulation of spin-crossover properties in mononuclear iron(III) Schiff-base complexes. |
| Authors of publication | Yu, Zong-Mei; Zhao, Sheng-Ze; Wang, Yu-Ting; Xu, Peng-Yu; Qin, Chun-Yan; Li, Yong-Hua; Zhou, Xin-Hui; Wang, Shi |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| a | 19.049 ± 0.007 Å |
| b | 12.722 ± 0.005 Å |
| c | 19.512 ± 0.007 Å |
| α | 90° |
| β | 112.406 ± 0.008° |
| γ | 90° |
| Cell volume | 4372 ± 3 Å3 |
| Cell temperature | 104 ± 2 K |
| Ambient diffraction temperature | 104 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0739 |
| Residual factor for significantly intense reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.1263 |
| Weighted residual factors for all reflections included in the refinement | 0.1367 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269885 (current) | 2021-10-11 | cif/ Adding structures of 7708533, 7708534, 7708535, 7708536, 7708537, 7708538, 7708539, 7708540 via cif-deposit CGI script. |
7708536.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.