Information card for entry 4115100

Structure parameters

• Common name: UCR-15
• Formula: In44 S72
• Calculated formula: In44 S72
• SMILES: [In+3].[In+3].[S-2].[S-2].[S-2]
• Title of publication: Nanocluster with One Missing Core Atom: A Three-Dimensional Hybrid Superlattice Built from Dual-Sized Supertetrahedral Clusters
• Authors of publication: Cheng Wang; Xianhui Bu; Nanfeng Zheng; Pingyun Feng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 10268 - 10269
• a: 24.597 ± 0.006 Å
• b: 24.597 ± 0.006 Å
• c: 44.088 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 26674 ± 13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1887
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.2082
• Weighted residual factors for all reflections included in the refinement: 0.2517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No