Information card for entry 7126931

Structure parameters

• Formula: C18 H12 Cu N2 O4
• Calculated formula: C18 H12 Cu N2 O4
• Title of publication: Coordination distortion induced water adsorption in hydrophobic flexible metal-organic frameworks.
• Authors of publication: Kamakura, Yoshinobu; Hikawa, Arata; Yoshikawa, Hirofumi; Kosaka, Wataru; Miyasaka, Hitoshi; Tanaka, Daisuke
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 64
• Pages of publication: 9106 - 9109
• a: 10.111 ± 0.002 Å
• b: 11.154 ± 0.002 Å
• c: 15.896 ± 0.004 Å
• α: 90°
• β: 104.51 ± 0.009°
• γ: 90°
• Cell volume: 1735.5 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.1937
• Residual factor for significantly intense reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.1978
• Weighted residual factors for all reflections included in the refinement: 0.2758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No