Information card for entry 7011398

Structure parameters

• Chemical name: [2,6-Bis(3-tert-butylpyrazol-1-yl)pyridine]-bis-acetonitrilecopper(II) ditetrafluoroborate
• Formula: C23 H31 B2 Cu F8 N7
• Calculated formula: C23 H31 B2 Cu F8 N7
• Title of publication: Copper(II) complexes of 2,6-bis(3-tert-butylpyrazol-1-yl)pyridine
• Authors of publication: Nayan K. Solanki; Eric J. L. McInnes; David Collison; Colin A. Kilner; John E. Davies; Malcolm A. Halcrow
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1625 - 1630
• a: 9.794 ± 0.003 Å
• b: 22.584 ± 0.008 Å
• c: 13.69 ± 0.005 Å
• α: 90°
• β: 110.09 ± 0.02°
• γ: 90°
• Cell volume: 2843.8 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1146
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No