Information card for entry 4130585

Structure parameters

• Formula: C4 H12 I2 O2 Pb S2
• Calculated formula: C4 H12 I2 O2 Pb S2
• SMILES: CS(C)=[O][Pb](I)(I)[O]=S(C)C
• Title of publication: Identifying the Molecular Structures of Intermediates for Optimizing the Fabrication of High-Quality Perovskite Films.
• Authors of publication: Cao, Jing; Jing, Xiaojing; Yan, Juanzhu; Hu, Chengyi; Chen, Ruihao; Yin, Jun; Li, Jing; Zheng, Nanfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 31
• Pages of publication: 9919 - 9926
• a: 13.6978 ± 0.0004 Å
• b: 10.8575 ± 0.0004 Å
• c: 8.7607 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1302.93 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No