Information card for entry 4002714

Structure parameters

• Formula: C26 H30 Cu2 N12 O6
• Calculated formula: C26 H30 Cu2 N12 O6
• Title of publication: Highly Anisotropic and Water Molecule-Dependent Proton Conductivity in a 2D Homochiral Copper(II) Metal‒Organic Framework
• Authors of publication: Li, Rong; Wang, Shuai-Hua; Chen, Xu-Xing; Lu, Jian; Fu, Zhi-Hua; Li, Yan; Xu, Gang; Zheng, Fa-Kun; Guo, Guo-Cong
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 2321
• a: 18.7672 ± 0.001 Å
• b: 7.6504 ± 0.0004 Å
• c: 10.1885 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1462.83 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No