Information card for entry 7117649

Structure parameters

• Formula: C19 H21 B2 Cu F8 N4
• Calculated formula: C19 H20 B2 Cu F8 N4
• Title of publication: Enhancement of 4-electron O2 reduction by a Cu(II)-pyridylamine complex via protonation of a pendant pyridine in the second coordination sphere in water
• Authors of publication: Hiroaki Kotani; Tomomi Yagi; Tomoya Ishizuka; Takahiko Kojima
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 13385
• a: 14.516 ± 0.007 Å
• b: 9.366 ± 0.004 Å
• c: 15.706 ± 0.007 Å
• α: 90°
• β: 97.731 ± 0.007°
• γ: 90°
• Cell volume: 2115.9 ± 1.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7117648
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No