Information card for entry 4110212

Structure parameters

• Common name: guanidinium 3-fluorobenzenesulfonate
• Formula: C7 H10 F N3 O3 S
• Calculated formula: C7 H10 F N3 O3 S
• SMILES: S(=O)(=O)(c1cc(F)ccc1)[O-].NC(=[NH2+])N
• Title of publication: Architectural Diversity and Elastic Networks in Hydrogen-Bonded Host Frameworks: From Molecular Jaws to Cylinders
• Authors of publication: Matthew J. Horner; K. Travis Holman; Michael D. Ward
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 14640 - 14660
• a: 7.169 ± 0.005 Å
• b: 7.304 ± 0.005 Å
• c: 11.532 ± 0.005 Å
• α: 72.377 ± 0.005°
• β: 85.075 ± 0.005°
• γ: 62.944 ± 0.005°
• Cell volume: 511.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0361
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No