Information card for entry 4302077

Structure parameters

• Formula: C27 H64 Cu8 F6 O12 P7 S12
• Calculated formula: C27 H64 Cu8 F6 O12 P7 S12
• Title of publication: Facile Entrapment of a Hydride inside the Tetracapped Tetrahedral CuI8 Cage Inscribed in a S12 Icosahedral Framework
• Authors of publication: Ping-Kuei Liao; Bijay Sarkar; Hao-Wei Chang; Ju-Chun Wang; C. W. Liu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4089 - 4097
• a: 17.3818 ± 0.0016 Å
• b: 17.3818 ± 0.0016 Å
• c: 71.534 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 18717 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.1221
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No