Information card for entry 7228821

Structure parameters

• Formula: C128 H80 Cu5 N8 O16
• Calculated formula: C128 H80 Cu5 N8 O16
• Title of publication: Supramolecular Porphyrin-Based Metal-Organic Frameworks: Cu(II) Naphthoate-Cu(II) TetraPyridyl Porphine Structures Exhibiting Selective CO2/N2 Separation
• Authors of publication: Ohmura, Tetsushi; Setoyama, Norihiko; Mukae, Yusuke; Usuki, Arimitsu; Senda, Shunsuke; Matsumoto, Tsuyoshi; Tatsumi, Kazuyuki
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 17.653 ± 0.004 Å
• b: 43.763 ± 0.011 Å
• c: 18.317 ± 0.005 Å
• α: 90°
• β: 102.967 ± 0.003°
• γ: 90°
• Cell volume: 13790 ± 6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1824
• Residual factor for significantly intense reflections: 0.0987
• Weighted residual factors for significantly intense reflections: 0.2487
• Weighted residual factors for all reflections included in the refinement: 0.2979
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No