Information card for entry 4110237

Structure parameters

• Common name: guanidinium 4-nitrobenzenesulfonate
• Formula: C7 H10 N4 O5 S
• Calculated formula: C7 H10 N4 O5 S
• SMILES: S(=O)(=O)(c1ccc(N(=O)=O)cc1)[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: 11.2544 ± 0.0009 Å
• b: 7.7474 ± 0.0006 Å
• c: 13.0949 ± 0.001 Å
• α: 90°
• β: 110.85 ± 0.001°
• γ: 90°
• Cell volume: 1067.01 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No