Information card for entry 4302076

Structure parameters

• Formula: C36 H85 Cu8 F6 O12 P7 S12
• Calculated formula: C36 H85 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: 23.9657 ± 0.0009 Å
• b: 12.7661 ± 0.0004 Å
• c: 24.4885 ± 0.0008 Å
• α: 90°
• β: 91.225 ± 0.001°
• γ: 90°
• Cell volume: 7490.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No