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Information card for entry 7710604
Preview
| Coordinates | 7710604.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (3,6-Di-tert-butylcatecholato)-(tris(2-pyridylmethyl)amine)-iron(iii) hexafluorophosphate |
|---|---|
| Chemical name | (3,6-Di-tert-butylcatecholato)-(tris(2-pyridylmethyl)amine)-iron(iii) hexafluorophosphate |
| Formula | C32 H38 F6 Fe N4 O2 P |
| Calculated formula | C32 H38 F6 Fe N4 O2 P |
| Title of publication | Spin transitions in ferric catecholate complexes mediated by outer-sphere counteranions. |
| Authors of publication | Chegerev, Maxim; Demidov, Oleg; Vasilyev, Pavel; Efimov, Nikolay; Kubrin, Stanislav; Starikov, Andrey; Vlasenko, Valery; Piskunov, Alexander; Shapovalova, Svetlana; Guda, Alexander; Rusalev, Yury; Soldatov, Alexander |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2022 |
| Journal volume | 51 |
| Journal issue | 29 |
| Pages of publication | 10909 - 10919 |
| a | 24.0039 ± 0.0003 Å |
| b | 18.8295 ± 0.0002 Å |
| c | 15.3066 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6918.3 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0537 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1256 |
| Weighted residual factors for all reflections included in the refinement | 0.1332 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277106 (current) | 2022-08-06 | cif/ Updating files of 7710599, 7710600, 7710601, 7710602, 7710603, 7710604 Original log message: Adding full bibliography for 7710599--7710604.cif. |
7710604.cif |
| 276300 | 2022-06-28 | cif/ Adding structures of 7710599, 7710600, 7710601, 7710602, 7710603, 7710604 via cif-deposit CGI script. |
7710604.cif |
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Users of the data should acknowledge the original authors of the
structural data.