Information card for entry 7224779

Structure parameters

• Formula: C20 H15 Cu N4 O4
• Calculated formula: C20 H15 Cu N4 O4
• Title of publication: Engineering the proton conductivity of metal‒organic hybrid materials by varying the coordination mode of the ligand
• Authors of publication: Liu, Bai-Ling; Zang, Hong-Ying; Tan, Hua-Qiao; Wang, Yong-Hui; Li, Yang-Guang
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 18
• Pages of publication: 3300
• a: 24.513 ± 0.005 Å
• b: 18.922 ± 0.004 Å
• c: 17.238 ± 0.003 Å
• α: 90°
• β: 119.74 ± 0.03°
• γ: 90°
• Cell volume: 6942 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No