Information card for entry 4329014

Structure parameters

• Formula: C44 H32 Cu N4 O10 Zn2
• Calculated formula: C44 H32 Cu N4 O10 Zn2
• Title of publication: Triple Framework Interpenetration and Immobilization of Open Metal Sites within a Microporous Mixed Metal-Organic Framework for Highly Selective Gas Adsorption
• Authors of publication: Zhangjing Zhang; Shengchang Xiang; Kunlun Hong; Madhab, C. Das; Hadi D. Arman; Maya Garcia; Jalal U. Mondal; K. Mark Thomas; Banglin Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4947 - 4953
• a: 22.564 ± 0.004 Å
• b: 20.405 ± 0.004 Å
• c: 14.919 ± 0.003 Å
• α: 90°
• β: 129.76 ± 0.03°
• γ: 90°
• Cell volume: 5280 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.2185
• Weighted residual factors for all reflections included in the refinement: 0.2447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No