Information card for entry 7703540

Structure parameters

• Formula: C28 H28 B2 Cu F12 N4 O2
• Calculated formula: C28 H28 B2 Cu F12 N4 O2
• Title of publication: A flexible two-dimensional layered metal-organic framework functionalized with (trifluoromethyl)trifluoroborate: synthesis, crystal structure, and adsorption/separation properties.
• Authors of publication: Kondo, Atsushi; Kajiro, Hiroshi; Nakagawa, Tomohiro; Tanaka, Hideki; Kanoh, Hirofumi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 12
• Pages of publication: 3692 - 3699
• a: 14.44 ± 0.003 Å
• b: 15.07 ± 0.003 Å
• c: 16.39 ± 0.003 Å
• α: 90°
• β: 108.68 ± 0.03°
• γ: 90°
• Cell volume: 3378.8 ± 1.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.2029
• Weighted residual factors for all reflections included in the refinement: 0.2177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No