Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7043134
Preview
| Coordinates | 7043134.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H63 B2 F8 Fe N9 |
|---|---|
| Calculated formula | C48 H63 B2 F8 Fe N9 |
| Title of publication | Polymorphism of chiral iron(II) complex: spin-crossover and ferroelectric properties |
| Authors of publication | Han, Wang-Kang; Qin, Long-Fang; Pang, Chun-Yan; Cheng, Cai-Kun; Zhu, Wei; Li, Zhi-Hua; Li, Zaijun; Ren, Xuehong; Gu, Zhi-Guo |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 12.6436 ± 0.0016 Å |
| b | 12.6436 ± 0.0016 Å |
| c | 28.035 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3881.3 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 146 |
| Hermann-Mauguin space group symbol | R 3 :H |
| Hall space group symbol | R 3 |
| Residual factor for all reflections | 0.0922 |
| Residual factor for significantly intense reflections | 0.0687 |
| Weighted residual factors for significantly intense reflections | 0.1818 |
| Weighted residual factors for all reflections included in the refinement | 0.1982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197013 (current) | 2017-05-27 | cif/ Adding structures of 7043133, 7043134 via cif-deposit CGI script. |
7043134.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.