Information card for entry 4301784

Structure parameters

• Formula: C42.5 H55 B2 Br4 Cl Cu6 N14 S6 W2
• Calculated formula: C42.5 H55 B2 Br4 Cl Cu6 N14 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: 11.347 ± 0.002 Å
• b: 11.437 ± 0.002 Å
• c: 16.618 ± 0.003 Å
• α: 107.82 ± 0.03°
• β: 97.93 ± 0.03°
• γ: 110.02 ± 0.03°
• Cell volume: 1856.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0956
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No