Information card for entry 7232840

Structure parameters

• Formula: C7 H18 B F4 N3
• Calculated formula: C7 H18 B F3.9996 N3
• Title of publication: Organic salts utilising the hexamethylguanidinium cation: the influence of the anion on the structural, physical and thermal properties
• Authors of publication: Yunis, Ruhamah; Hollenkamp, Anthony F.; Forsyth, Craig; Doherty, Cara M.; Al-Masri, Danah; Pringle, Jennifer M.
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2019
• a: 10.877 ± 0.013 Å
• b: 10.877 ± 0.013 Å
• c: 10.877 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1287 ± 3 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• Space group number: 202
• Hermann-Mauguin space group symbol: F m -3
• Hall space group symbol: -F 2 2 3
• Residual factor for all reflections: 0.1168
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1922
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No