Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4350056
Preview
| Coordinates | 4350056.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H26 Fe N6 Se2 |
|---|---|
| Calculated formula | C26 H26 Fe N6 Se2 |
| Title of publication | Investigation of SCO property‒structural relationships in a family of mononuclear Fe(ii) complexes |
| Authors of publication | Chen, Xiu-Qin; Cai, You-De; Ye, Yi-Shan; Tong, Ming-Liang; Bao, Xin |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 8 |
| Pages of publication | 2194 |
| a | 18.954 ± 0.002 Å |
| b | 15.8604 ± 0.0019 Å |
| c | 8.7328 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2625.2 ± 0.5 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 5 |
| Space group number | 30 |
| Hermann-Mauguin space group symbol | P n c 2 |
| Hall space group symbol | P 2 -2bc |
| Residual factor for all reflections | 0.1449 |
| Residual factor for significantly intense reflections | 0.0847 |
| Weighted residual factors for significantly intense reflections | 0.1618 |
| Weighted residual factors for all reflections included in the refinement | 0.1843 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237963 (current) | 2019-11-24 | cif/ Adding structures of 4350049, 4350050, 4350051, 4350052, 4350053, 4350054, 4350055, 4350056 via cif-deposit CGI script. |
4350056.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.