Information card for entry 7716138
| Formula |
C28 H26 B2 F8 Fe N10 O4 |
| Calculated formula |
C28 H26 B2 F8 Fe N10 O4 |
| Title of publication |
Lattice solvent- and substituent-dependent spin-crossover in isomeric iron(II) complexes |
| Authors of publication |
Kuppusamy, Senthil Kumar; Mizuno, Asato; Kämmerer, Lea; Salamon, Soma; Heinrich, Benoît; Bailly, Corinne; Salitros, Ivan; Wende, Heiko; Ruben, Mario |
| Journal of publication |
Dalton Transactions |
| Year of publication |
2024 |
| a |
8.6936 ± 0.0004 Å |
| b |
9.6057 ± 0.0004 Å |
| c |
20.1864 ± 0.0008 Å |
| α |
94.081 ± 0.001° |
| β |
91.459 ± 0.002° |
| γ |
102.237 ± 0.002° |
| Cell volume |
1641.83 ± 0.12 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 ± 2 K |
| Number of distinct elements |
7 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0399 |
| Residual factor for significantly intense reflections |
0.0356 |
| Weighted residual factors for significantly intense reflections |
0.0917 |
| Weighted residual factors for all reflections included in the refinement |
0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.028 |
| 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/7716138.html
