Information card for entry 4301783

Structure parameters

• Formula: C60 H68 B2 Br2 Cu6 F12 N18 O2 P2 S6 W2
• Calculated formula: C60 H68 B2 Br2 Cu6 F12 N18 O2 P2 S6 W2
• 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: 28.987 ± 0.006 Å
• b: 16.351 ± 0.003 Å
• c: 11.547 ± 0.002 Å
• α: 90°
• β: 100.29 ± 0.03°
• γ: 90°
• Cell volume: 5384.9 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 11
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.2109
• Weighted residual factors for all reflections included in the refinement: 0.2261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No