Information card for entry 7037419

Structure parameters

• Formula: C35 H27 B Cu F9 N6 O3
• Calculated formula: C35 H27 B Cu F9 N6 O3
• Title of publication: Highly tunable fluorinated trispyrazolylborates [HB(3-CF3-5-{4-RPh}pz)3](-) (R = NO2, CF3, Cl, F, H, OMe and NMe2) and their copper(i) complexes.
• Authors of publication: van Dijkman, Thomas F.; Siegler, Maxime A.; Bouwman, Elisabeth
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 48
• Pages of publication: 21109 - 21123
• a: 17.25818 ± 0.00018 Å
• b: 14.2814 ± 0.00011 Å
• c: 28.109 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6928.05 ± 0.12 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No