Information card for entry 4513497

Structure parameters

• Formula: C39 H14 Cl6 Cu F10 N5 O2
• Calculated formula: C39 H14 Cl6 Cu F10 N5 O2
• Title of publication: Reactivity and Mechanism Studies of Hydrogen Evolution Catalyzed by Copper Corroles
• Authors of publication: Lei, Haitao; Fang, Huayi; Han, Yongzhen; Lai, Wenzhen; Fu, Xuefeng; Cao, Rui
• Journal of publication: ACS Catalysis
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 9
• Pages of publication: 5145
• a: 10.2256 ± 0.0008 Å
• b: 13.2327 ± 0.0009 Å
• c: 15.2136 ± 0.001 Å
• α: 75.791 ± 0.002°
• β: 82.911 ± 0.002°
• γ: 77.348 ± 0.002°
• Cell volume: 1941.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.2091
• Weighted residual factors for all reflections included in the refinement: 0.2189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No