Information card for entry 4119176

Structure parameters

• Formula: C16 H14 Cu N2 O5
• Calculated formula: C16 H14 Cu N2 O5
• Title of publication: Fine-Tuning Pore Size by Shifting Coordination Sites of Ligands and Surface Polarization of Metal-Organic Frameworks To Sharply Enhance the Selectivity for CO2
• Authors of publication: Liting Du; Zhiyong Lu; Kaiyuan Zheng; Junyi Wang; Xin Zheng; Yi Pan; Xiaozeng You; Junfeng Bai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 562 - 565
• a: 10.5385 ± 0.0009 Å
• b: 10.7768 ± 0.0009 Å
• c: 14.7694 ± 0.0012 Å
• α: 90°
• β: 108.72 ± 0.001°
• γ: 90°
• Cell volume: 1588.6 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No