Information card for entry 4312682

Structure parameters

• Formula: C24 H60 Cu7.08 O12 P6 S12 Se0.54
• Calculated formula: C24 H60 Cu7.08 O12 P6 S12 Se0.54
• Title of publication: Ligand Substitution in Cubic Clusters: Surprising Isolation of the Cocrystallization Products of Cu8(μ8-Se)[S2P(OEt)2]6 and Cu6[S2P(OEt)2]6
• Authors of publication: C. W. Liu; Chiu-Mine Hung; Bidyut Kumar Santra; Ju-Chun Wang; Hsien-Ming Kao; Zhenyang Lin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8551 - 8556
• a: 21.0139 ± 0.0013 Å
• b: 21.0139 ± 0.0013 Å
• c: 11.404 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4361.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No