Information card for entry 7236565

Structure parameters

• Formula: C36 H25 O8 Pb6 S12
• Calculated formula: C36 H24.3334 O8 Pb6 S12
• Title of publication: A semiconducting gyroidal metal-sulfur framework for chemiresistive sensing
• Authors of publication: Huang, Jiahong; He, Yonghe; Yao, Ming-Shui; He, Jun; Xu, Gang; Zeller, Matthias; Xu, Zhengtao
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 31
• Pages of publication: 16139
• a: 19.8841 ± 0.0001 Å
• b: 19.8841 ± 0.0001 Å
• c: 19.8841 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7861.72 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No