Information card for entry 4003356

Structure parameters

• Formula: C14 H8 Cu N2 O6
• Calculated formula: C15 H8 Cu N2 O7
• Title of publication: Analyzing Gas Adsorption in an Amide-Functionalized Metal Organic Framework: Are the Carbonyl or Amine Groups Responsible?
• Authors of publication: Chen, Mansheng; Chen, Shoushun; Chen, Wei; Lucier, Bryan E. G.; Zhang, Yue; Zheng, Anmin; Huang, Yining
• Journal of publication: Chemistry of Materials
• Year of publication: 2018
• Journal volume: 30
• Journal issue: 11
• Pages of publication: 3613
• a: 7.9968 ± 0.0016 Å
• b: 10.6693 ± 0.0019 Å
• c: 17.695 ± 0.003 Å
• α: 90°
• β: 103.904 ± 0.005°
• γ: 90°
• Cell volume: 1465.5 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No