Information card for entry 7124784

Structure parameters

• Chemical name: Ir-Co1
• Formula: C118 H108 Cl6 Co3 Ir2 N24 O29
• Calculated formula: C118 H100 Cl6 Co3 Ir2 N24 O29
• 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: 31.23 ± 0.005 Å
• b: 17.481 ± 0.003 Å
• c: 26.747 ± 0.004 Å
• α: 90°
• β: 102.845 ± 0.002°
• γ: 90°
• Cell volume: 14237 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No