Information card for entry 4106368

Structure parameters

• Formula: C22 H16 Cu F6 N4 O6 S2
• Calculated formula: C22 H16 Cu F6 N4 O6 S2
• Title of publication: Super Flexibility of a 2D Cu-Based Porous Coordination Framework on Gas Adsorption in Comparison with a 3D Framework of Identical Composition: Framework Dimensionality-Dependent Gas Adsorptivities
• Authors of publication: Atsushi Kondo; Hiroshi Kajiro; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Kenichi Kato; Masaki Takata; Hiroko Seki; Masami Sakamoto; Yoshiyuki Hattori; Fujio Okino; Kazuyuki Maeda; Tomonori Ohba; Katsumi Kaneko; Hirofumi Kanoh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 10512 - 10522
• a: 28.564 ± 0.002 Å
• b: 28.564 ± 0.002 Å
• c: 18.2725 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14908.6 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections: 0.2636
• Weighted residual factors for significantly intense reflections: 0.2572
• Goodness-of-fit parameter for all reflections: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No