Information card for entry 4320960

Structure parameters

• Common name: [(CF3)2Bp]Cu(PPh3)2.0.5(hexane)
• Formula: C49 H41 B Cu F12 N4 P2
• Calculated formula: C49 H41 B Cu F12 N4 P2
• Title of publication: Direct Synthesis of a Bis(pyrazolyl)boratocopper(I) Complex: Synthesis and Characterization of [H2B(3,5-(CF3)2Pz)2]Cu(PPh3)2 Displaying an Unusual Coordination Mode for a Poly(pyrazolyl)borate Ligand
• Authors of publication: H. V. Rasika Dias; Hui-Ling Lu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2246 - 2248
• a: 13.4865 ± 0.0019 Å
• b: 13.6724 ± 0.0012 Å
• c: 13.9087 ± 0.0014 Å
• α: 80.288 ± 0.008°
• β: 82.151 ± 0.009°
• γ: 75.677 ± 0.008°
• Cell volume: 2437.2 ± 0.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0423
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No