Information card for entry 1576852
| Formula |
C38 H34 Br4 Mn O2 P2 |
| Calculated formula |
C38 H34 Br4 Mn O2 P2 |
| Title of publication |
Chiral manganese halide isomers: decoding the 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 |
| Journal volume |
17 |
| Journal issue |
18 |
| Pages of publication |
9061 - 9071 |
| a |
12.3302 ± 0.0011 Å |
| b |
11.274 ± 0.0009 Å |
| c |
14.772 ± 0.0014 Å |
| α |
90° |
| β |
106.737 ± 0.003° |
| γ |
90° |
| Cell volume |
1966.5 ± 0.3 Å3 |
| Cell temperature |
303 K |
| Ambient diffraction temperature |
303 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 |
0.072 |
| Residual factor for significantly intense reflections |
0.044 |
| Weighted residual factors for significantly intense reflections |
0.0926 |
| Weighted residual factors for all reflections included in the refinement |
0.1025 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.02 |
| 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/1576852.html
