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Information card for entry 7715852
Preview
| Coordinates | 7715852.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H28 Cl3 Fe N4 O6 |
|---|---|
| Calculated formula | C22 H28 Cl3 Fe N4 O6 |
| Title of publication | The role of intermolecular interactions in [Fe(X-salEen)2]ClO4 spin crossover complexes |
| Authors of publication | Bento, Marcos; Gomes, Tiago; Martins, Frederico; Gil, Adria; Ferreira, Liliana; Barroso, Sónia; Gomes, Clara S. B.; Garcia, Yann; Martinho, Paulo |
| Journal of publication | Dalton Transactions |
| Year of publication | 2024 |
| a | 9.8405 ± 0.0005 Å |
| b | 22.8166 ± 0.0009 Å |
| c | 11.9228 ± 0.0006 Å |
| α | 90° |
| β | 104.146 ± 0.002° |
| γ | 90° |
| Cell volume | 2595.8 ± 0.2 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0627 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0687 |
| Weighted residual factors for all reflections included in the refinement | 0.0746 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291372 (current) | 2024-04-27 | cif/ Adding structures of 7715850, 7715851, 7715852, 7715853 via cif-deposit CGI script. |
7715852.cif |
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