Information card for entry 4076659

Structure parameters

• Common name: [HB(3,5-(CF3)2Pz)3]CuC2H4.2(C6H6)
• Formula: C29 H20 B Cu F18 N6
• Calculated formula: C29 H20 B Cu F18 N6
• Title of publication: Copper(I) Ethylene Adducts and Aziridination Catalysts Based on Fluorinated Tris(pyrazolyl)borates [HB(3-(CF3),5-(R)Pz)3]-(where R = CF3, C6H5, H; Pz = pyrazolyl)
• Authors of publication: Dias, H. V. Rasika; Lu, Hui-Ling; Kim, Hyoung-Juhn; Polach, Sharon A.; Goh, Timothy K. H. H.; Browning, R. Greg; Lovely, Carl J.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 1466
• a: 11.2383 ± 0.0014 Å
• b: 20.86 ± 0.008 Å
• c: 14.733 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3453.9 ± 1.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No