Information card for entry 1576615

Structure parameters

• Formula: C8 H20 Br3 N Sn
• Calculated formula: C8 H20 Br3 N Sn
• Title of publication: Halogen-Ion-Driven Polymorphs for High-Performance Nonlinear Optical Crystalline Materials
• Authors of publication: Kang, Yuwei; Yang, Can; Wang, Yunjie; Wu, Qi
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 10.0466 ± 0.0003 Å
• b: 17.0996 ± 0.0005 Å
• c: 8.7161 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1497.36 ± 0.07 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No