Information card for entry 7108273

Structure parameters

• Formula: C56 H46 N4 O14 Zn2
• Calculated formula: C56 H46 N4 O14 Zn2
• Title of publication: Selective CO2 adsorption in a metal-organic framework constructed from an organic ligand with flexible joints
• Authors of publication: Dae Ho Hong; Myunghyun Paik Suh
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9168
• a: 13.289 ± 0.003 Å
• b: 16.467 ± 0.003 Å
• c: 13.711 ± 0.003 Å
• α: 90°
• β: 117.02 ± 0.03°
• γ: 90°
• Cell volume: 2672.9 ± 1.2 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 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: 0.0527
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.65 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No