Information card for entry 7244801

Structure parameters

• Formula: C22 H28 N6 O8 S2
• Calculated formula: C22 H28 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: 7.4141 ± 0.0003 Å
• b: 12.8303 ± 0.0007 Å
• c: 15.1362 ± 0.0009 Å
• α: 69.146 ± 0.005°
• β: 86.884 ± 0.004°
• γ: 77 ± 0.004°
• Cell volume: 1310.5 ± 0.13 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.0367
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No