Information card for entry 4120670

Structure parameters

• Formula: C148 H172 Ag2 Cu4 F30 Ir8 N16 O62 S10
• Calculated formula: C146 H152 Ag2 Cu4 F24 Ir8 N16 O56 S8
• Title of publication: Stepwise Construction of Discrete Heterometallic Coordination Cages Based on Self-Sorting Strategy.
• Authors of publication: Li, Hao; Han, Ying-Feng; Lin, Yue-Jian; Guo, Zi-Wei; Jin, Guo-Xin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 8
• Pages of publication: 2982
• a: 29.4297 ± 0.0007 Å
• b: 24.1596 ± 0.0006 Å
• c: 31.8628 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22654.8 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1942
• Weighted residual factors for all reflections included in the refinement: 0.2109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No