Information card for entry 7223379

Structure parameters

• Chemical name: N,N'-bis(2-pyridyl)guanidinium hemisulfate
• Formula: C11 H19 N5 O5.5 S0.5
• Calculated formula: C11 H19 N5 O5.5 S0.5
• Title of publication: A Conformationally Persistent Pseudo-bicyclic Guanidinium for Anion Coordination As Stabilized by Dual Intramolecular Hydrogen Bonds
• Authors of publication: Seipp, Charles Aaron; Williams, Neil J.; Bryantsev, Vyacheslav; Custelcean, Radu; Moyer, Bruce A.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 16.941 ± 0.004 Å
• b: 8.827 ± 0.002 Å
• c: 20.578 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3077.2 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1374
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No