Information card for entry 4120668

Structure parameters

• Formula: C146 H168 Cu4 F24 Ir8 N16 O54 S8
• Calculated formula: C142 H152 Cu4 F12 Ir8 N16 O42 S4
• 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: 18.26 ± 0.002 Å
• b: 20.91 ± 0.003 Å
• c: 27.801 ± 0.003 Å
• α: 90°
• β: 93.071 ± 0.002°
• γ: 90°
• Cell volume: 10600 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1397
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2031
• Weighted residual factors for all reflections included in the refinement: 0.2302
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No