Information card for entry 7247047

Structure parameters

• Formula: C38 H32 Co N18 S2
• Calculated formula: C38 H32 Co N18 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: 7.8166 ± 0.0016 Å
• b: 11.069 ± 0.002 Å
• c: 11.929 ± 0.002 Å
• α: 72.386 ± 0.003°
• β: 78.707 ± 0.003°
• γ: 80.019 ± 0.003°
• Cell volume: 957.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0395
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No