Information card for entry 4504242

Structure parameters

• Common name: Copper(II) terephthalate
• Formula: C23 H27 Cu2 N2 O11.5
• Calculated formula: C23.816 H20.5 Cu2 N2 O11.908
• Title of publication: A Tetracarboxylate−Bridged Dicopper(II) Paddle-Wheel-Based 2-D Porous Coordination Polymer with Gas Sorption Properties
• Authors of publication: Xue, Dong-Xu; Lin, Yan-Yong; Cheng, Xiao-Ning; Chen, Xiao-Ming
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 1332
• a: 28.129 ± 0.006 Å
• b: 25.034 ± 0.005 Å
• c: 15.343 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10804 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No