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Information card for entry 7715811
Preview
| Coordinates | 7715811.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H26 Fe N6 Se2 |
|---|---|
| Calculated formula | C28 H26 Fe N6 Se2 |
| Title of publication | Design and Characterization of Fe(II) Complexes with Tetradentate Ligands Exhibiting Spin-Crossover Near Room Temperature |
| Authors of publication | Dou, Diyu; Qi, Dafan; Zhao, Tianyuan; Zheng, Peng Xuan; Bao, Xin |
| Journal of publication | Dalton Transactions |
| Year of publication | 2024 |
| a | 7.4622 ± 0.0003 Å |
| b | 13.4258 ± 0.0006 Å |
| c | 14.0208 ± 0.0005 Å |
| α | 95.0903 ± 0.0012° |
| β | 92.7699 ± 0.0012° |
| γ | 93.8097 ± 0.0012° |
| Cell volume | 1393.98 ± 0.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0634 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0803 |
| Weighted residual factors for all reflections included in the refinement | 0.0882 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291339 (current) | 2024-04-24 | cif/ Adding structures of 7715811, 7715812, 7715813, 7715814 via cif-deposit CGI script. |
7715811.cif |
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Users of the data should acknowledge the original authors of the
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