Information card for entry 7228575

Structure parameters

• Formula: C33 H14 B Cl2 Cs F24
• Calculated formula: C33 H14 B Cl2 Cs F24
• 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: 13.7562 ± 0.0004 Å
• b: 13.7562 ± 0.0004 Å
• c: 19.0303 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3601.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1016
• 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: Yes
• Has Fobs: No