Information card for entry 4115232

Structure parameters

• Common name: UCR-17
• Formula: C84.5 H182 Cu5 In30 N13 S54
• Calculated formula: Cu4.74 In30.22 S54
• Title of publication: Pushing Up the Size Limit of Chalcogenide Supertetrahedral Clusters: Two- and Three-Dimensional Photoluminescent Open Frameworks from (Cu5In30S54)13- Clusters
• Authors of publication: Xianhui Bu; Nanfeng Zheng; Yuqi Li; Pingyun Feng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 12646 - 12647
• a: 43.266 ± 0.006 Å
• b: 43.467 ± 0.006 Å
• c: 53.721 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 101030 ± 2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.1539
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.2776
• Weighted residual factors for all reflections included in the refinement: 0.3123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.577
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No