Information card for entry 4310174

Structure parameters

• Formula: Cl4 Cu4 S4 W
• Calculated formula: Cl4 Cu4 S4 W
• Title of publication: New Skeletal 3D Polymeric Inorganic Cluster [W4S16Cu16Cl16]n with Cu in Mixed-Valence States: Solid-State Synthesis, Crystal Structure, and Third-Order Nonlinear Optical Properties
• Authors of publication: Ya Cai; Yan Wang; Yizhi Li; Xiaoshu Wang; Xinquan Xin; Caiming Liu; Hegen Zheng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9128 - 9130
• a: 11.5262 ± 0.0017 Å
• b: 11.5262 ± 0.0017 Å
• c: 5.5308 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 734.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No