Information card for entry 7228574

Structure parameters

• Formula: C32 H18.76 B Cl0 F24 Na O2.38
• Calculated formula: C32 H18.76 B F24 Na O2.38
• Title of publication: Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts
• Authors of publication: Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 52
• Pages of publication: 32833
• a: 13.5537 ± 0.0007 Å
• b: 13.5537 ± 0.0007 Å
• c: 9.785 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1797.53 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1726
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No