Information card for entry 2013034

Structure parameters

• Chemical name: Acetonitrile[2,6-bis(pyrazol-1-yl)pyridine](isonicotinamide)copper(II)‒ tetrafluoroborate‒acetonitrile (1/2/2)
• Formula: C23 H24 B2 Cu F8 N10 O
• Calculated formula: C23 H24 B2 Cu F8 N10 O
• Title of publication: (Acetonitrile)[2,6-bis(pyrazol-1-yl)pyridine](isonicotinamide)copper(II)‒tetrafluoroborate‒acetonitrile (1/2/2)
• Authors of publication: Baum, Gerhard; Blake, Alexander J.; Fenske, Dieter; Hubberstey, Peter; Julio, Carine; Withersby, Matthew A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: m542 - m544
• a: 8.179 ± 0.0016 Å
• b: 22.747 ± 0.005 Å
• c: 31.752 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5907 ± 2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes