Information card for entry 1576616

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: 17.1273 ± 0.0007 Å
• b: 33.122 ± 0.0013 Å
• c: 13.2631 ± 0.0005 Å
• α: 90°
• β: 127.506 ± 0.002°
• γ: 90°
• Cell volume: 5968.7 ± 0.4 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2198
• Weighted residual factors for all reflections included in the refinement: 0.2276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No