Information card for entry 4000069

Structure parameters

• Common name: bis(guanidinium)(4,4'-biphenyldisulfonate).3(1,6-dimethylnaphthalene)
• Formula: C25 H28 N3 O3 S
• Calculated formula: C25 H10 N3 O3 S
• Title of publication: Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks
• Authors of publication: Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.
• Journal of publication: Chemistry of Materials
• Year of publication: 2001
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 3018
• a: 7.5289 ± 0.0004 Å
• b: 12.4257 ± 0.0007 Å
• c: 25.4206 ± 0.0015 Å
• α: 90°
• β: 95.539 ± 0.001°
• γ: 90°
• Cell volume: 2367 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.2292
• Weighted residual factors for all reflections included in the refinement: 0.2521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No