Information card for entry 4132953

Structure parameters

• Formula: C16 H19 Cu2 N3 O7
• Calculated formula: C16 H19 Cu2 N3 O7
• Title of publication: Higher Symmetry Multinuclear Clusters of Metal-Organic Frameworks for Highly Selective CO₂ Capture.
• Authors of publication: Jiang, Jingjing; Lu, Zhiyong; Zhang, Mingxing; Duan, Jingui; Zhang, Wenwei; Pan, Yi; Bai, Junfeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 51
• Pages of publication: 17825 - 17829
• a: 12.911 ± 0.003 Å
• b: 13.862 ± 0.003 Å
• c: 13.052 ± 0.003 Å
• α: 90°
• β: 112.921 ± 0.002°
• γ: 90°
• Cell volume: 2151.5 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1264
• Residual factor for significantly intense reflections: 0.1242
• Weighted residual factors for significantly intense reflections: 0.3139
• Weighted residual factors for all reflections included in the refinement: 0.3152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No