Information card for entry 7715852
| 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 |
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https://www.crystallography.net/7715852.html
