Information card for entry 1575701

Structure parameters

• Chemical name: 1
• 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: 8.2181 ± 0.0005 Å
• b: 7.2079 ± 0.0004 Å
• c: 11.5107 ± 0.0006 Å
• α: 90°
• β: 94.45 ± 0.005°
• γ: 90°
• Cell volume: 679.78 ± 0.07 ų
• Cell temperature: 470.02 ± 0.1 K
• Ambient diffraction temperature: 470.02 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No