Information card for entry 4003001

Structure parameters

• Formula: C12 H7 Cu O7
• Calculated formula: C12 H7 Cu O7
• Title of publication: Grafting Free Carboxylic Acid Groups onto the Pore Surface of 3D Porous Coordination Polymers for High Proton Conductivity
• Authors of publication: Tian, Yuanmeng; Liang, Gan; Fan, Tao; Shang, Jin; Shang, Shanshan; Ma, Yunsheng; Matsuda, Ryotaro; Liu, Mingxian; Wang, Man; Li, Liangchun; Kitagawa, Susumu
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 8494
• a: 18.6737 ± 0.0004 Å
• b: 18.6737 ± 0.0004 Å
• c: 38.3967 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11595.4 ± 0.5 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 4
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1857
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No