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Information card for entry 7715812
Preview
| Coordinates | 7715812.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 | 13.5008 ± 0.0018 Å |
| b | 24.067 ± 0.003 Å |
| c | 8.0492 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2615.4 ± 0.6 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123.15 K |
| Number of distinct elements | 5 |
| Space group number | 41 |
| Hermann-Mauguin space group symbol | A e a 2 |
| Hall space group symbol | A 2 -2ab |
| Residual factor for all reflections | 0.0364 |
| Residual factor for significantly intense reflections | 0.0272 |
| Weighted residual factors for significantly intense reflections | 0.0477 |
| Weighted residual factors for all reflections included in the refinement | 0.0496 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| 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. |
7715812.cif |
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