Information card for entry 7118795

Structure parameters

• Formula: C123 H116 B4 F16 Ir2 N22 O7 Zn3
• Calculated formula: C123 H114 B4 F16 Ir2 N22 O7.01 Zn3
• Title of publication: Multicomponent self-assembly of a pentanuclear Ir-Zn heterometal-organic polyhedron for carbon dioxide fixation and sulfite sequestration.
• Authors of publication: Li, Xuezhao; Wu, Jinguo; He, Cheng; Zhang, Rong; Duan, Chunying
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 29
• Pages of publication: 5104 - 5107
• a: 29.0096 ± 0.0005 Å
• b: 19.0252 ± 0.0003 Å
• c: 24.8069 ± 0.0004 Å
• α: 90°
• β: 111.599 ± 0.001°
• γ: 90°
• Cell volume: 12729.9 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No