Information card for entry 7715948
| Formula |
C36 H40.4 Cl2 Fe N13 O5.3 |
| Calculated formula |
C35.3 H35 Cl2 Fe N13 O3.3 |
| Title of publication |
Spin crossover of a Fe(II) mononuclear complex induced by intermolecular factors involving chloride and solvent ordering |
| Authors of publication |
Zhang, Kenneth; Wallis, Matthew J.; Craze, Alexander R.; Hayami, Shinya; Min, Hyunsung; Fanna, Daniel John; Bhadbhade, Mohan; Tian, Ruoming; Marjo, Christopher; Lindoy, Leonard F.; Li, Feng |
| Journal of publication |
Dalton Transactions |
| Year of publication |
2024 |
| a |
32.45 ± 0.007 Å |
| b |
16.53 ± 0.003 Å |
| c |
20.8 ± 0.004 Å |
| α |
90° |
| β |
129.57 ± 0.03° |
| γ |
90° |
| Cell volume |
8600 ± 5 Å3 |
| Cell temperature |
250 K |
| Ambient diffraction temperature |
250 K |
| Number of distinct elements |
6 |
| Space group number |
15 |
| Hermann-Mauguin space group symbol |
C 1 2/c 1 |
| Hall space group symbol |
-C 2yc |
| Residual factor for all reflections |
0.0575 |
| Residual factor for significantly intense reflections |
0.0552 |
| Weighted residual factors for significantly intense reflections |
0.1772 |
| Weighted residual factors for all reflections included in the refinement |
0.1809 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.06 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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