Information card for entry 7038754
| Formula |
C49.62 H66.25 Cl2 Fe N9 O8 |
| Calculated formula |
C49.625 H66.25 Cl2 Fe N9 O8 |
| Title of publication |
Spin crossover properties of enantiomers, co-enantiomers, racemates, and co-racemates. |
| Authors of publication |
Qin, Long-Fang; Pang, Chun-Yan; Han, Wang-Kang; Zhang, Feng-Li; Tian, Lei; Gu, Zhi-Guo; Ren, Xuehong; Li, Zaijun |
| Journal of publication |
Dalton transactions (Cambridge, England : 2003) |
| Year of publication |
2016 |
| Journal volume |
45 |
| Journal issue |
17 |
| Pages of publication |
7340 - 7348 |
| a |
13.3184 ± 0.0007 Å |
| b |
11.2564 ± 0.0006 Å |
| c |
17.3597 ± 0.0009 Å |
| α |
90° |
| β |
97.5679 ± 0.0018° |
| γ |
90° |
| Cell volume |
2579.8 ± 0.2 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
173 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
4 |
| Hermann-Mauguin space group symbol |
P 1 21 1 |
| Hall space group symbol |
P 2yb |
| Residual factor for all reflections |
0.0775 |
| Residual factor for significantly intense reflections |
0.0504 |
| Weighted residual factors for significantly intense reflections |
0.093 |
| Weighted residual factors for all reflections included in the refinement |
0.1038 |
| 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 |
Yes |
| Has Fobs |
No |
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