Information card for entry 4106923

Structure parameters

• Formula: C2 In40 N9 O8 S66
• Calculated formula: C2 In40 N9 O8 S66
• Title of publication: A Large Indium Sulfide Supertetrahedral Cluster Built from Integration of ZnS-like Tetrahedral Shell with NaCl-like Octahedral Core
• Authors of publication: Tao Wu; Fan Zuo; Le Wang; Xianhui Bu; Shou-Tian Zheng; Richard Ma; Pingyun Feng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 15886 - 15889
• a: 36.0575 ± 0.0014 Å
• b: 26.5202 ± 0.0011 Å
• c: 28.8726 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 27609 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1423
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2404
• Weighted residual factors for all reflections included in the refinement: 0.3276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No