Information card for entry 4110206

Structure parameters

• Common name: guanidinium 2-fluorobenzenesulfonate
• Formula: C7 H10 Cl N3 O3 S
• Calculated formula: C7 H10 Cl N3 O3 S
• SMILES: Clc1c(S(=O)(=O)[O-])cccc1.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: 7.121 ± 0.005 Å
• b: 7.347 ± 0.005 Å
• c: 11.661 ± 0.005 Å
• α: 80.198 ± 0.005°
• β: 83.673 ± 0.005°
• γ: 63.966 ± 0.005°
• Cell volume: 539.7 ± 0.6 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: 0.0335
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No