Information card for entry 7715851
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 |
9.9911 ± 0.001 Å |
b |
23.03 ± 0.002 Å |
c |
12.0882 ± 0.0011 Å |
α |
90° |
β |
103.748 ± 0.004° |
γ |
90° |
Cell volume |
2701.7 ± 0.4 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 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 |
0.1431 |
Residual factor for significantly intense reflections |
0.0623 |
Weighted residual factors for significantly intense reflections |
0.1458 |
Weighted residual factors for all reflections included in the refinement |
0.1553 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.026 |
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/7715851.html