Information card for entry 7101571

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: [Cu(HF~2~)(pyz)~2~]BF~4~ (pyz = pyrazine): long-range magnetic ordering in a pseudo-cubic coordination polymer comprised of bridging HF~2~^-^ and pyrazine ligands
• Authors of publication: Manson, Jamie L.; Conner, Marianne M.; Schlueter, John A.; Lancaster, Tom; Blundell, Stephen J.; Brooks, Michael L.; Pratt, Francis L.; Papageorgiou, Thomas; Bianchi, Andreas D.; Wosnitza, Jochen; Whangbo, Myung-Hwan
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2006
• Journal issue: 47
• Pages of publication: 4894 - 4896
• a: 9.6901 ± 0.0004 Å
• b: 9.6901 ± 0.0004 Å
• c: 6.6193 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 621.54 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0479
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No