Information card for entry 7244800

Structure parameters

• Formula: C24 H31 N6 O8 S2
• Calculated formula: C24 H31 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: 6.2266 ± 0.0009 Å
• b: 7.1344 ± 0.0007 Å
• c: 14.1593 ± 0.0015 Å
• α: 97.548 ± 0.009°
• β: 90.802 ± 0.011°
• γ: 94.115 ± 0.01°
• Cell volume: 621.77 ± 0.13 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0903
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2101
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No