Information card for entry 7706566
| Common name |
1(ClO4)-296K |
| Chemical name |
1(ClO4)-296K |
| Formula |
C46 H38 Cl2 Fe N6 O12 |
| Calculated formula |
C46 H38 Cl2 Fe N6 O12 |
| Title of publication |
Ligand symmetry significantly affects spin crossover behaviour in isomeric [Fe(pybox)<sub>2</sub>]<sup>2+</sup> complexes. |
| Authors of publication |
Wang, Run-Guo; Meng, Yin-Shan; Gao, Fang-Fang; Gao, Wan-Qing; Liu, Chun-Hua; Li, Anyang; Liu, Tao; Zhu, Yuan-Yuan |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2021 |
| Journal volume |
50 |
| Journal issue |
9 |
| Pages of publication |
3369 - 3378 |
| a |
42.453 ± 0.005 Å |
| b |
11.222 ± 0.0012 Å |
| c |
21.261 ± 0.002 Å |
| α |
90° |
| β |
118.425 ± 0.002° |
| γ |
90° |
| Cell volume |
8907.8 ± 1.7 Å3 |
| Cell temperature |
296.15 K |
| Ambient diffraction temperature |
296.15 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 |
0.0864 |
| Residual factor for significantly intense reflections |
0.0601 |
| Weighted residual factors for significantly intense reflections |
0.1183 |
| Weighted residual factors for all reflections included in the refinement |
0.1363 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.16 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7706566.html
