Information card for entry 1576850
| Formula |
C38 H34 Br4 Mn O2 P2 |
| Calculated formula |
C38 H34 Br4 Mn O2 P2 |
| Title of publication |
Chiral manganese halide isomers: decoding spatial stacking effect on second-Harmonic generation circular dichroism |
| Authors of publication |
Li, Jing; Wei, Jianwu; Luo, Qiulian; Pang, Wei; Liu, Hongming; Chen, Peican; Zhou, Liya; Zhang, Jin Zhong; Luo, Binbin; pang, qi |
| Journal of publication |
Chemical Science |
| Year of publication |
2026 |
| a |
12.3199 ± 0.0006 Å |
| b |
11.247 ± 0.0004 Å |
| c |
14.7379 ± 0.0006 Å |
| α |
90° |
| β |
106.67 ± 0.002° |
| γ |
90° |
| Cell volume |
1956.29 ± 0.14 Å3 |
| Cell temperature |
301 K |
| Ambient diffraction temperature |
301 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 |
0.0759 |
| Residual factor for significantly intense reflections |
0.047 |
| Weighted residual factors for significantly intense reflections |
0.1016 |
| Weighted residual factors for all reflections included in the refinement |
0.118 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.049 |
| 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/1576850.html
