Information card for entry 1568212

Structure parameters

• Formula: C86 H69 Br Cl3 Os P3
• Calculated formula: C86 H69 Br2 Cl2 Os P3
• Title of publication: Heterocyclic Suzuki-Miyaura coupling reaction of metalla-aromatics and mechanistic analysis of site selectivity.
• Authors of publication: Lin, Zuzhang; Cai, Yapeng; Zhang, Yaowei; Zhang, Hong; Xia, Haiping
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1227 - 1233
• a: 13.8929 ± 0.0003 Å
• b: 15.2075 ± 0.0003 Å
• c: 18.0219 ± 0.0004 Å
• α: 93.513 ± 0.002°
• β: 96.836 ± 0.002°
• γ: 101.444 ± 0.002°
• Cell volume: 3691.25 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No