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Information card for entry 7712498
Preview
| Coordinates | 7712498.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C81.76 H71.53 Cl3.53 Fe N10 O11 |
|---|---|
| Calculated formula | C80.764 H67.528 Cl3.528 Fe N10 O10 |
| 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 | 12.9914 ± 0.0006 Å |
| b | 17.0329 ± 0.0008 Å |
| c | 18.9494 ± 0.0008 Å |
| α | 63.776 ± 0.001° |
| β | 84.27 ± 0.002° |
| γ | 86.755 ± 0.002° |
| Cell volume | 3742.4 ± 0.3 Å3 |
| Cell temperature | 120.97 K |
| Ambient diffraction temperature | 120.97 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0705 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1288 |
| Weighted residual factors for all reflections included in the refinement | 0.1401 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7712498.cif |
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