Information card for entry 1515034

Structure parameters

• Formula: C90 H186 Cu5 Ga30 N23 S56
• Calculated formula: C47.12 Cu4.96 Ga30.04 N10.47 S56
• Title of publication: Largest discrete supertetrahedral clusters synthesized in ionic liquids
• Authors of publication: Xiong, Wei-Wei; Li, Jian-Rong; Hu, Bing; Tan, Bin; Li, Ren-Fu; Huang, Xiao-Ying
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 1200
• a: 23.018 ± 0.003 Å
• b: 23.018 ± 0.003 Å
• c: 42.321 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19419 ± 5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No