Information card for entry 1575317

Structure parameters

• Formula: C12 H28 Br6 N2 Sn
• Calculated formula: C12 H28 Br6 N2 Sn
• Title of publication: Regulation of metal valence states for enhancing second harmonic generation performance of chiral tin halides.
• Authors of publication: Wang, Yue; Cheng, Puxin; Han, Wenqing; Guan, Junjie; Li, Quanwen; Wang, Zhihua; Wang, Peihan; Zheng, Yongshen; Xu, Jialiang
• Journal of publication: Materials horizons
• Year of publication: 2025
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 9106 - 9113
• a: 20.8427 ± 0.0007 Å
• b: 7.5744 ± 0.0002 Å
• c: 7.1881 ± 0.0003 Å
• α: 90°
• β: 97.696 ± 0.003°
• γ: 90°
• Cell volume: 1124.57 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No