Information card for entry 7249146

Structure parameters

• Formula: C16 H18 N4 Ni O8
• Calculated formula: C16 H18 N4 Ni O8
• Title of publication: Impact of the number of hydrogen bonds on proton conductivity in metallo-hydrogen-bonded organic frameworks: the more the number of hydrogen bonds, the better the proton conductivity at the maximum relative humidity
• Authors of publication: Feng, Shaoqiang; Xie, Fengxia; Wan, Chengan; Zhang, Feng; Feng, Lei; Wen, Chen; Liang, Xiaoqiang
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 35
• Pages of publication: 4855 - 4870
• a: 6.8624 ± 0.0007 Å
• b: 13.4464 ± 0.0016 Å
• c: 19.361 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1786.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1211
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No