Information card for entry 7241968

Structure parameters

• Formula: C8 H16 N6 O6 S2
• Calculated formula: C8 H16 N6 O6 S2
• Title of publication: Dynamic structural reconstruction of (guanidinium+)2(benzene-1,4-disulfonate2−) host crystal by guest adsorption
• Authors of publication: Abe, Haruka; Kobayashi, Takahiro; Hoshino, Norihisa; Takeda, Takashi; Suzuki, Yasutaka; Kawamata, Jun; Akutagawa, Tomoyuki
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 5
• Pages of publication: 1149 - 1157
• a: 6.73165 ± 0.00019 Å
• b: 7.0727 ± 0.0002 Å
• c: 7.95197 ± 0.00018 Å
• α: 86.2104 ± 0.0017°
• β: 72.5954 ± 0.0018°
• γ: 85.649 ± 0.002°
• Cell volume: 359.851 ± 0.017 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0382
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No