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Information card for entry 7715785
Preview
| Coordinates | 7715785.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H28 F2 Fe N12 O2 |
|---|---|
| Calculated formula | C34 H28 F2 Fe N12 O2 |
| Title of publication | Rotational order-disorder and spin crossover behaviour in a neutral iron(II) complex based on asymmetrically substituted large planar ionogenic ligand |
| Authors of publication | Seredyuk, Maksym; Znovjyak, Kateryna O.; Valverde-Muñoz, Francisco Javier; Muñoz, M. Carmen; Fritsky, Igor O.; Real Cabezos, José Antonio A |
| Journal of publication | Dalton Transactions |
| Year of publication | 2024 |
| a | 12.7752 ± 0.0008 Å |
| b | 10.7048 ± 0.0007 Å |
| c | 24.3576 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3331 ± 0.4 Å3 |
| Cell temperature | 220 ± 2 K |
| Ambient diffraction temperature | 220 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.1149 |
| Residual factor for significantly intense reflections | 0.0703 |
| Weighted residual factors for significantly intense reflections | 0.1626 |
| Weighted residual factors for all reflections included in the refinement | 0.1929 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291279 (current) | 2024-04-19 | cif/ Adding structures of 7715785, 7715786 via cif-deposit CGI script. |
7715785.cif |
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