Information card for entry 4110224

Structure parameters

• Common name: guanidinium sulfonate clathrate
• Formula: C24 H34 F2 N6 O6 S2
• Calculated formula: C24 H34 F2 N6 O6 S2
• SMILES: O=S(=O)([O-])c1ccc(cc1)F.[O-]S(=O)(=O)c1ccc(cc1)F.C(=[NH2+])(N)N.C(=[NH2+])(N)N.CC(C)(C)c1ccccc1
• 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: 32.565 ± 0.014 Å
• b: 7.455 ± 0.003 Å
• c: 12.308 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2988 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1689
• Residual factor for significantly intense reflections: 0.1262
• Weighted residual factors for significantly intense reflections: 0.3038
• Weighted residual factors for all reflections included in the refinement: 0.3309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No