Information card for entry 7120503

Structure parameters

• Common name: Cu(CHDAP)(BPh4)2
• Formula: C86 H99 B2 Cu N6 O2
• Calculated formula: C86 H99 B2 Cu N6 O2
• Title of publication: Nucleophilic Reactivity of Copper(II)-Alkylperoxo Complexes
• Authors of publication: Kim, Bohee; Jeong, Donghyun; Cho, Jaeheung
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 18.9494 ± 0.0012 Å
• b: 23.0427 ± 0.0013 Å
• c: 17.9917 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7856 ± 0.8 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No