Information card for entry 1564476

Structure parameters

• Formula: C12.2 H0 In2.8 N3.8 S2 Se6 Sn1.2
• Calculated formula: C12.2 In2.8 N3.8 S2 Se6 Sn1.2
• Title of publication: Using thiol-amine solvent mixture to prepare main group heterometallic chalcogenides
• Authors of publication: Yu, Ji-Ming; Cai, Ting; Ma, Zhong-Jie; Wang, Fei; Wang, Huan; Yu, Ji-Peng; Xiao, Lu-Lu; Cheng, Fang-Fang; Xiong, Wei-Wei
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 509
• Pages of publication: 119698
• a: 13.3741 ± 0.0014 Å
• b: 28.778 ± 0.002 Å
• c: 8.0083 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3082.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1656
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No