Information card for entry 7117580

Structure parameters

• Common name: (MQ)BF4
• Chemical name: N-methylquinoxalinium tetrafluoroborate
• Formula: C9 H9 B F4 N2
• Calculated formula: C9 H9 B F4 N2
• Title of publication: Approaching the limit of Cu(II)/Cu(I) mixed valency in a Cu(I)Br2-N-methylquinoxalinium hybrid compound.
• Authors of publication: Leblanc, Nicolas; Sproules, Stephen; Pasquier, Claude; Auban-Senzier, Pascale; Raffy, Helene; Powell, Annie K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 64
• Pages of publication: 12740 - 12743
• a: 13.372 ± 0.002 Å
• b: 6.2221 ± 0.0009 Å
• c: 13.8278 ± 0.0019 Å
• α: 90°
• β: 112.232 ± 0.011°
• γ: 90°
• Cell volume: 1065 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1415
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 0.716
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No