Information card for entry 4301779

Structure parameters

• Formula: C31 H43 B Br2 Cu3 N9 O S3 W
• Calculated formula: C31 H43 B Br2 Cu3 N9 O S3 W
• Title of publication: Monomeric, Dimeric and Polymeric W/Cu/S Clusters Based on [Et4N][Tp*W(μ3-S)3(CuBr)3] and Various Nitrogen Donor Ligands
• Authors of publication: Zhen-Hong Wei; Hong-Xi Li; Mei-Ling Cheng; Xiao-Yan Tang; Yang Chen; Yong Zhang; Jian-Ping Lang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2808 - 2817
• a: 16.996 ± 0.003 Å
• b: 10.512 ± 0.002 Å
• c: 22.559 ± 0.005 Å
• α: 90°
• β: 90.39 ± 0.03°
• γ: 90°
• Cell volume: 4030.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1192
• Residual factor for significantly intense reflections: 0.0952
• Weighted residual factors for significantly intense reflections: 0.1836
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No