Information card for entry 1520579

Structure parameters

• Formula: C24 H52 B6 Cu4 F8 N4 O17
• Calculated formula: C24 H48 B6 Cu4 F8 N4 O17
• Title of publication: Re-evaluating selectivity as a determining factor in peroxidative methane oxidation by multimetallic copper complexes
• Authors of publication: Palomas, David; Kalamaras, Christos; Haycock, Peter; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R.
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 8
• Pages of publication: 4108
• a: 14.4651 ± 0.0005 Å
• b: 19.3815 ± 0.0006 Å
• c: 14.1054 ± 0.0005 Å
• α: 90°
• β: 90.991 ± 0.003°
• γ: 90°
• Cell volume: 3953.9 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0423
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No