Information card for entry 1100967

Structure parameters

• Formula: C56 H46 Cu6 N6 P2 S8 W2
• Calculated formula: C55.96 H16 Cu6 N6 P2 S8 W2
• Title of publication: Acetic Acid Induced Self-Assembly of Supramolecular Compounds [Et4N]3[(WS4Cu2)2(μ-CN)3].2MeCN and [PPh4][WS4Cu3(μ-CN)2].MeCN from Preformed Clusters [A]2[WS4(CuCN)2] (A = Et4N, PPh4)
• Authors of publication: Jian-Ping Lang; Chang-Mei Jiao; Shan-Bao Qiao; Wen-Hua Zhang; Brendan F. Abrahams
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3664 - 3668
• a: 30.344 ± 0.003 Å
• b: 10.3195 ± 0.0007 Å
• c: 26.17 ± 0.003 Å
• α: 90°
• β: 128.202 ± 0.003°
• γ: 90°
• Cell volume: 6439.7 ± 1.1 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No