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Information card for entry 7710875
Preview
| Coordinates | 7710875.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2-298K |
|---|---|
| Formula | C106 H114 B2 Cl6 Fe6 N34 O26 |
| Calculated formula | C106 H114 B2 Cl5.47 Fe6 N34 O22.94 |
| Title of publication | Mixed-valence {FeII2FeIII4} hexanuclear complexes with thermally induced Fe(III) spin crossover behavior |
| Authors of publication | Jia, Shuwen; Fan, Lingyue; Zheng, Chun-Yang; Jin, Sai; Li, Dongfeng |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 25.526 ± 0.0011 Å |
| b | 22.3469 ± 0.001 Å |
| c | 24.7393 ± 0.0011 Å |
| α | 90° |
| β | 95.456 ± 0.002° |
| γ | 90° |
| Cell volume | 14048 ± 1.1 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0861 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.1512 |
| Weighted residual factors for all reflections included in the refinement | 0.1808 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277019 (current) | 2022-07-31 | cif/ Adding structures of 7710870, 7710871, 7710872, 7710873, 7710874, 7710875, 7710876 via cif-deposit CGI script. |
7710875.cif |
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Users of the data should acknowledge the original authors of the
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