Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7712500
Preview
| Coordinates | 7712500.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3-120 |
|---|---|
| Formula | C81.65 H71.31 B2 Cl1.31 F8 Fe N10 O3 |
| Calculated formula | C80.654 H67.308 B2 Cl1.308 F8 Fe N10 O2 |
| Title of publication | Constructing Spin Crossover-Fluorescence Bifunctional Iron(II) complexes based on Tetraphenyl Ethylene-Decorated AIEgen |
| Authors of publication | Yi, Cheng; Zhang, Shi-Hui; Zhao, Liang; Yao, Nian-Tao; Zhao, Guo-Hui; Meng, Yin-Shan; Liu, Tao |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 12.8968 ± 0.0007 Å |
| b | 16.9841 ± 0.0009 Å |
| c | 19.0169 ± 0.0011 Å |
| α | 63.584 ± 0.002° |
| β | 83.769 ± 0.002° |
| γ | 86.568 ± 0.002° |
| Cell volume | 3708.2 ± 0.4 Å3 |
| Cell temperature | 120.01 K |
| Ambient diffraction temperature | 120.01 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1075 |
| Residual factor for significantly intense reflections | 0.0664 |
| Weighted residual factors for significantly intense reflections | 0.17 |
| Weighted residual factors for all reflections included in the refinement | 0.1931 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281274 (current) | 2023-03-03 | cif/ Adding structures of 7712498, 7712499, 7712500, 7712501, 7712502 via cif-deposit CGI script. |
7712500.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.