Information card for entry 1575702

Structure parameters

• Formula: C4 H12 Cl6 N2 Sn
• Calculated formula: C4 H12 Cl6 N2 Sn
• Title of publication: A pair of chiral organic-inorganic hybrid tin compounds showing reversible phase transition and enhanced SHG properties.
• Authors of publication: Jiang, Ting; Zou, Mingjun; Wu, Yaozhen; Zhou, Jie; Yin, Xin; Guo, Wenjing; Wei, Zhenhong; Cai, Hu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 38
• Pages of publication: 14559 - 14565
• a: 7.1196 ± 0.0002 Å
• b: 8.1492 ± 0.0002 Å
• c: 22.7386 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1319.27 ± 0.06 ų
• Cell temperature: 304.3 ± 0.5 K
• Ambient diffraction temperature: 304.3 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No