Information card for entry 7124785

Structure parameters

• Chemical name: Ir-Co2
• Formula: C121 H107 Cl4 Co3 Ir2 N25 O22
• Calculated formula: C121 H103 Cl4 Co3 Ir2 N25 O22
• Title of publication: Engineering an iridium-containing metal-organic molecular capsule for induced-fit geometrical conversion and dual catalysis.
• Authors of publication: Li, Xuezhao; Wu, Jinguo; Chen, Liyong; Zhong, Xiaoming; He, Cheng; Zhang, Rong; Duan, Chunying
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 62
• Pages of publication: 9628 - 9631
• a: 20.973 ± 0.003 Å
• b: 20.973 ± 0.003 Å
• c: 30.067 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13225 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1987
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No