Information card for entry 4313621

Structure parameters

• Formula: C24.5 H60.5 Cl2.5 Cu8 F6 O12 P7 Se12
• Calculated formula: C24.5 H60 Cl2.5 Cu8 F6 O12 P7 Se12
• Title of publication: Novel Chloride-Centered Discrete CuI8 Cubic Clusters Containing Diselenophosphate Ligands. Syntheses and Structures of {Cu8(μ8-Cl)[Se2P(OR)2]6}(PF6) (R = Et, Pr,iPr)1
• Authors of publication: C. W. Liu; Chiu-Mine Hung; Bidyut Kumar Santra; Hsiu-Chih Chen; Hsueh; Ju-Chung Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3216 - 3220
• a: 17.7054 ± 0.0017 Å
• b: 17.7054 ± 0.0017 Å
• c: 73.576 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19975 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No