Information card for entry 7044697

Structure parameters

• Formula: C204 H252 Cu8 F42 N60 P7 S24
• Calculated formula: C204 H252 Cu8 F42 N60 P7.00008 S24
• Title of publication: Large CuI8 Chalcogenone Cubic Cages with Non-interacting Counter Ion
• Authors of publication: Katam, Srinivas; Ganesan, Prabusankar
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 24.409 ± 0.0003 Å
• b: 24.409 ± 0.0003 Å
• c: 24.409 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14542.9 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 222
• Hermann-Mauguin space group symbol: P n -3 n
• Hall space group symbol: -P 4a 2bc 3
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No