Information card for entry 7101104

Structure parameters

• Formula: C58 H172 I46 N18 Sn13
• Calculated formula: C58 H144 I46 N18 Sn13
• Title of publication: [H3N(CH2)7NH3]8(CH3NH3)2 Sn(IV)Sn(II)12I46 - A Mixed-valent Hybrid Compound with a Uniquely Templated Defect-Perovskite Structure
• Authors of publication: Arnold Guloy; Jun Guan; Zhongjia Tang
• Journal of publication: Chemical Communications
• Year of publication: 2005
• Journal issue: 1
• a: 26.9174 ± 0.0013 Å
• b: 26.9174 ± 0.0013 Å
• c: 12.7329 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9225.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 136
• Hermann-Mauguin space group symbol: P 42/m n m
• Hall space group symbol: -P 4n 2n
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections: 0.132
• Weighted residual factors for significantly intense reflections: 0.1102
• Goodness-of-fit parameter for all reflections: 1.223
• Goodness-of-fit parameter for significantly intense reflections: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No