Information card for entry 7123633

Structure parameters

• Formula: C48 H115 Cl Co Mo6 N3 O24
• Calculated formula: C48 H115 Cl Co Mo6 N3 O24
• Title of publication: Iron-Catalyzed Oxidative Functionalization of C(sp3)−H Bonds under Bromide-synergized Mild Conditions
• Authors of publication: Wei, Yongge; Yu, Han; Zhao, Qixing; Wei, Zheyu; Wu, Zhikang; Li, Qi; Han, Sheng
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 26.1667 ± 0.0004 Å
• b: 16.5284 ± 0.0002 Å
• c: 32.6499 ± 0.0004 Å
• α: 90°
• β: 99.6138 ± 0.0013°
• γ: 90°
• Cell volume: 13922.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0486
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No