Information card for entry 7011222

Structure parameters

• Chemical name: Bis-[2,6-di-(pyrazol-1-yl)pyridine]copper(II) ditetrafluoroborate
• Formula: C22 H18 B2 Cu F8 N10
• Calculated formula: C22 H18 B2 Cu F8 N10
• Title of publication: A crystallographic and EPR study of the fluxional Cu(II) ion in [CuL2][BF4]2 (L = 2,6-dipyrazol-1-ylpyridine)
• Authors of publication: Nayan K. Solanki; Michael A. Leech; Eric J. L. McInnes; Frank E. Mabbs; Judith A. K. Howard; Colin A. Kilner; Jeremy M. Rawson; Malcolm A. Halcrow
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1295 - 1301
• a: 8.4141 ± 0.0009 Å
• b: 8.4747 ± 0.0009 Å
• c: 18.6833 ± 0.0019 Å
• α: 90°
• β: 97.371 ± 0.002°
• γ: 90°
• Cell volume: 1321.2 ± 0.2 ų
• Cell temperature: 50 ± 2 K
• Ambient diffraction temperature: 50 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No