Information card for entry 7118797

Structure parameters

• Chemical name: Ir-Zn3
• Formula: C118 H104 B4 F16 Ir2 N24 O6 S Zn3
• Calculated formula: C118 H100 B4 F16 Ir2 N24 O6 S 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: 29.347 ± 0.003 Å
• b: 18.8722 ± 0.0016 Å
• c: 25.16 ± 0.002 Å
• α: 90°
• β: 112.374 ± 0.005°
• γ: 90°
• Cell volume: 12886 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 9
• 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: 0.1414
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1797
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No