Information card for entry 7244805

Structure parameters

• Formula: C25 H34 N6 O8 S2
• Calculated formula: C25 H34 N6 O8 S2
• Title of publication: Hybrid interaction network of guanidinium-biphenyldisulfonic acid for the structure determination of liquid molecules
• Authors of publication: Qin, Shu-Qin; Gan, Qian-Ying; Xu, Wei; Jiang, Ren-Wang
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 6.1959 ± 0.0003 Å
• b: 7.1931 ± 0.0003 Å
• c: 14.6132 ± 0.0006 Å
• α: 101.192 ± 0.004°
• β: 90.032 ± 0.004°
• γ: 93.056 ± 0.004°
• Cell volume: 637.94 ± 0.05 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0959
• Weighted residual factors for significantly intense reflections: 0.2744
• Weighted residual factors for all reflections included in the refinement: 0.2836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.331
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No