Information card for entry 4349519

Structure parameters

• Formula: C39 H25 Cu3 N6 O13
• Calculated formula: C39 H25 Cu3 N6 O13
• Title of publication: A microporous Cu2+MOF based on a pyridyl isophthalic acid Schiff base ligand with high CO2uptake
• Authors of publication: Kourtellaris, Andreas; Moushi, Eleni E.; Spanopoulos, Ioannis; Tampaxis, Christos; Charalambopoulou, Georgia; Steriotis, Theodore A.; Papaefstathiou, Giannis S.; Trikalitis, Pantelis N.; Tasiopoulos, Anastasios J.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 1527
• a: 13.657 ± 0.005 Å
• b: 18.686 ± 0.005 Å
• c: 31.503 ± 0.005 Å
• α: 90 ± 0.005°
• β: 101.532 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 7877 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.2362
• Weighted residual factors for all reflections included in the refinement: 0.2505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No