Information card for entry 4333233

Structure parameters

• Common name: Bis(pyrazine) copper(II) bifloride tetrafluoroborate
• Formula: C8 H9 B Cu F6 N4
• Calculated formula: C8 H9 B Cu F6 N4
• Title of publication: Hydrogen Bonding and Multiphonon Structure in Copper Pyrazine Coordination Polymers
• Authors of publication: Brown, S.; Cao, J.; Musfeldt, J. L.; Conner, M. M.; McConnell, A. C.; Southerland, H. I.; Manson, J. L.; Schlueter, J. A.; Phillips, M. D.; Turnbull, M. M.; Landee, C. P.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 21
• Pages of publication: 8577 - 8583
• a: 9.6872 ± 0.0006 Å
• b: 9.6872 ± 0.0006 Å
• c: 6.5998 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 619.34 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 125
• Hermann-Mauguin space group symbol: P 4/n b m :2
• Hall space group symbol: -P 4a 2b
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No