Information card for entry 1529077

Structure parameters

• Formula: C113.3 H88.95 Cl2 Cu2 F24 N15.65 O14 S2
• Calculated formula: C113.3 H88.95 Cl2 Cu2 F24 N15.65 O14 S2
• Title of publication: Redox-configurable ambidextrous catalysis: structural and mechanistic insight
• Authors of publication: Mortezaei, Shahab; Catarineu, Noelle R.; Duan, Xueyou; Hu, Chunhua; Canary, James W.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 5904
• a: 29.93 ± 0.006 Å
• b: 29.93 ± 0.006 Å
• c: 28.878 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 22403 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.2086
• Weighted residual factors for all reflections included in the refinement: 0.2228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No