Information card for entry 7247046

Structure parameters

• Formula: C20 H24 Co N10 O4 S2
• Calculated formula: C20 H24 Co N10 O4 S2
• Title of publication: Water-assisted proton conduction regulated by hydrophilic groups in metallo-hydrogen-bonded organic frameworks: “like-attracts-like” between hydrophilic groups and water molecules
• Authors of publication: Wang, Sen; Xie, Fengxia; Zhang, Shiwen; Liang, Xiaoqiang; Gao, Qianhang; Chen, Yu; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 33
• Pages of publication: 4701 - 4715
• a: 7.703 ± 0.007 Å
• b: 9.477 ± 0.009 Å
• c: 10.206 ± 0.01 Å
• α: 112.963 ± 0.012°
• β: 102.917 ± 0.013°
• γ: 95.919 ± 0.013°
• Cell volume: 653.4 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No