Information card for entry 4110003

Structure parameters

• Formula: C22 H16 Cu F6 N4 O6 S2
• Calculated formula: C22 H16 Cu F6 N4 O6 S2
• Title of publication: Double-Step Gas Sorption of a Two-Dimensional Metal-Organic Framework
• Authors of publication: Atsushi Kondo; Hiroshi Noguchi; Lucia Carlucci; Davide M. Proserpio; Gianfranco Ciani; Hiroshi Kajiro; Tomonori Ohba; Hirofumi Kanoh; Katsumi Kaneko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 12362 - 12363
• a: 15.319 ± 0.003 Å
• b: 16.158 ± 0.003 Å
• c: 13.688 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3388.1 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.1175
• Weighted residual factors for significantly intense reflections: 0.1114
• Goodness-of-fit parameter for all reflections: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No