Information card for entry 7112211

Structure parameters

• Formula: O16 Se77 Sn42
• Calculated formula: O16 Se77 Sn42
• Title of publication: An infinite square lattice of super-supertetrahedral T6-like tin oxyselenide clusters
• Authors of publication: Qipu Lin; Xianhui Bub; Pingyun Feng
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4044
• a: 35.2905 ± 0.0011 Å
• b: 24.1793 ± 0.0008 Å
• c: 35.0776 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 29931.7 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.2016
• 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