Information card for entry 4110207

Structure parameters

• Common name: guanidinium 2-fluorobenzenesulfonate
• Formula: C7 H10 F N3 O3 S
• Calculated formula: C7 H10 F N3 O3 S
• SMILES: S(=O)(=O)([O-])c1c(F)cccc1.[NH2+]=C(N)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: 12.5613 ± 0.0018 Å
• b: 7.4686 ± 0.0011 Å
• c: 22.99 ± 0.003 Å
• α: 90°
• β: 94.984 ± 0.002°
• γ: 90°
• Cell volume: 2148.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No