Information card for entry 7118796

Structure parameters

• Chemical name: Ir-Zn1
• Formula: C116 H98 B4 F17 Ir2 N25 O3 Zn3
• Calculated formula: C116.02 H93.03 B4 F17 Ir2 N25.01 O3 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: 29.505 ± 0.0011 Å
• b: 19.1096 ± 0.0005 Å
• c: 24.976 ± 0.0008 Å
• α: 90°
• β: 112.295 ± 0.002°
• γ: 90°
• Cell volume: 13029.4 ± 0.7 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: 0.1303
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.2126
• Weighted residual factors for all reflections included in the refinement: 0.2446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No