Information card for entry 7132144

Structure parameters

• Formula: C3 H6 F6 N4 O4 S2
• Calculated formula: C3 H7 F6 N4 O4 S2
• Title of publication: A Guanidium Salt as a Chaotropic Agent for Aqueous Battery Electrolytes
• Authors of publication: Brown, John; Forero-Saboya, Juan David; Baptiste, Benoît; Karlsmo, Martin; Rousse, Gwenaëlle; Grimaud, Alexis
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 15.9721 ± 0.0009 Å
• b: 18.6173 ± 0.0009 Å
• c: 25.1641 ± 0.0005 Å
• α: 89.96 ± 0.003°
• β: 85.636 ± 0.003°
• γ: 87.428 ± 0.004°
• Cell volume: 7453.5 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1394
• Residual factor for significantly intense reflections: 0.1027
• Weighted residual factors for significantly intense reflections: 0.2681
• Weighted residual factors for all reflections included in the refinement: 0.2976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No