Information card for entry 4325049

Structure parameters

• Formula: C35 H51 B2 Br4 Cl8 Cu6 N13 S6 W2
• Calculated formula: C35 H50 B2 Br4 Cl8 Cu6 N13 S6 W2
• Title of publication: Construction of Halide-Bridged Tungsten-Copper-Sulfide Double Cubanelike Clusters from a New Precursor [(Tp*WS2)2(μ-S2)]
• Authors of publication: Li-Pei Wei; Zhi-Gang Ren; Lian-Wen Zhu; Wen-Yan Yan; Sha Sun; Hui-Fang Wang; Jian-Ping Lang; Zhen-Rong Sun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4493 - 4502
• a: 11.557 ± 0.002 Å
• b: 13.558 ± 0.003 Å
• c: 22.986 ± 0.005 Å
• α: 94.37 ± 0.03°
• β: 103.9 ± 0.03°
• γ: 111.54 ± 0.03°
• Cell volume: 3197.7 ± 1.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No