Information card for entry 7129340

Structure parameters

• Common name: 1-H2O
• Formula: C20 H22 K N8 O19.5
• Calculated formula: C20 H22 K N8 O19.5
• Title of publication: Single-crystal superprotonic conductivity in an interpenetrated hydrogen-bonded quadruplex framework
• Authors of publication: Zhou, Mu-Yang; Wang, Hao-Yu; Wang, Zhi-Shuo; Zhang, Xue-Wen; Feng, Xi; Gao, Le-Yao; Lian, Zhi-Cheng; Lin, Rui-Biao; Zhou, Dong-Dong
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 27.5128 ± 0.0005 Å
• b: 27.5128 ± 0.0005 Å
• c: 3.52247 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2666.35 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No