Information card for entry 4102051

Structure parameters

• Common name: CIS-11
• Chemical name: catena-(undeca(N,N-Dibutylamine) bis(tripentacontasulfido-hepta-copper-octaicosa-indium))
• Formula: C88 H220 Cu7 In28 N11 S53
• Calculated formula: Cu6.46 In28.54 N59.4 S53
• Title of publication: Assembly of Supertetrahedral T5 Copper-Indium Sulfide Clusters into a Super-Supertetrahedron of Infinite Order
• Authors of publication: Le Wang; Tao Wu; Fan Zuo; Xiang Zhao; Xianhui Bu; Jianzhong Wu; Pingyun Feng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 3283 - 3285
• a: 27.2249 ± 0.0011 Å
• b: 27.2249 ± 0.0011 Å
• c: 27.2249 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20179 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 216
• Hermann-Mauguin space group symbol: F -4 3 m
• Hall space group symbol: F -4 2 3
• Residual factor for all reflections: 0.1346
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.292
• Weighted residual factors for all reflections included in the refinement: 0.3683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No