Information card for entry 4002870

Structure parameters

• Formula: C36 H23 Cu3 N3 O18
• Calculated formula: C36 H23 Cu3 N3 O18
• Title of publication: Highly Effective Carbon Fixation via Catalytic Conversion of CO2 by an Acylamide-Containing Metal‒Organic Framework
• Authors of publication: Li, Pei-Zhou; Wang, Xiao-Jun; Liu, Jia; Phang, Hui Shi; Li, Yongxin; Zhao, Yanli
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 9256
• a: 18.7055 ± 0.0003 Å
• b: 39.8841 ± 0.0005 Å
• c: 27.8207 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20755.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No