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Information card for entry 7238503
Preview
| Coordinates | 7238503.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,8-Bis(4-hydroxysalicylaldiminato)-3,6-diazaoctane) -iron(iii) iodide |
|---|---|
| Formula | C20 H24 Fe I N4 O4 |
| Calculated formula | C20 H24 Fe I N4 O4 |
| Title of publication | Anion driven modulation of magnetic intermolecular interactions and spin crossover properties in an isomorphous series of mononuclear iron(iii) complexes with a hexadentate Schiff base ligand |
| Authors of publication | Nemec, Ivan; Herchel, Radovan; Šalitroš, Ivan; Trávníček, Zdeněk; Moncoľ, Ján; Fuess, Hartmut; Ruben, Mario; Linert, Wolfgang |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 20 |
| Pages of publication | 7015 |
| a | 10.168 ± 0.003 Å |
| b | 9.68 ± 0.003 Å |
| c | 13.871 ± 0.004 Å |
| α | 90° |
| β | 130.17 ± 0.02° |
| γ | 90° |
| Cell volume | 1043.2 ± 0.6 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.083 |
| Residual factor for significantly intense reflections | 0.062 |
| Weighted residual factors for significantly intense reflections | 0.154 |
| Weighted residual factors for all reflections included in the refinement | 0.1624 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244196 (current) | 2019-11-28 | cif/ Adding structures of 7238501, 7238502, 7238503 via cif-deposit CGI script. |
7238503.cif |
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Users of the data should acknowledge the original authors of the
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