Information card for entry 7715853
Formula |
C22 H28 Cl F2 Fe N4 O6 |
Calculated formula |
C22 H28 Cl F2 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 |
9.8076 ± 0.0005 Å |
b |
21.5134 ± 0.001 Å |
c |
12.1084 ± 0.0006 Å |
α |
90° |
β |
104.487 ± 0.002° |
γ |
90° |
Cell volume |
2473.6 ± 0.2 Å3 |
Cell temperature |
110 ± 2 K |
Ambient diffraction temperature |
110 ± 2 K |
Number of distinct elements |
7 |
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 |
0.062 |
Residual factor for significantly intense reflections |
0.0391 |
Weighted residual factors for significantly intense reflections |
0.0907 |
Weighted residual factors for all reflections included in the refinement |
0.0979 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.054 |
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/7715853.html