Information card for entry 7110245

Structure parameters

• Formula: C10.8 H25.2 Ga0.8 N1.8 O2.8 S6.5 Sn2.7
• Calculated formula: Ga0.807 O S6.5 Sn2.693
• Title of publication: Co-assembly of a three-dimensional open framework sulfide with a novel linkage between an oxygen-encapsulated T3 cluster and a supertetrahedral T2 cluster
• Authors of publication: Xiaohui Han; Zhenqing Wang; Dan Liu; Jin Xu; Yongxin Liu; Cheng Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 796
• a: 14.6663 ± 0.0003 Å
• b: 14.6663 ± 0.0003 Å
• c: 24.9609 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5369.1 ± 0.3 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 7
• Space group number: 112
• Hermann-Mauguin space group symbol: P -4 2 c
• Hall space group symbol: P -4 2c
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No