Information card for entry 7250323

Structure parameters

• Formula: C12 H12 Cl6 N2 Sn
• Calculated formula: C12 H12 Cl6 N2 Sn
• Title of publication: Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals
• Authors of publication: Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 2993 - 2997
• a: 7.1093 ± 0.0003 Å
• b: 14.9953 ± 0.0005 Å
• c: 32.2219 ± 0.0013 Å
• α: 90°
• β: 91.529 ± 0.003°
• γ: 90°
• Cell volume: 3433.8 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0602
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No