Information card for entry 4328986

Structure parameters

• Formula: C45 H25 N15 O12 Zn5
• Calculated formula: C45 H25 N15 O12 Zn5
• Title of publication: Porous Double-Walled Metal Triazolate Framework Based upon a Bifunctional Ligand and a Pentanuclear Zinc Cluster Exhibiting Selective CO2 Uptake
• Authors of publication: Wen-Yang Gao; Wuming Yan; Rong Cai; Le Meng; Andrea Salas; Xi-Sen Wang; Lukasz Wojtas; Xiaodong Shi; Shengqian Ma
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4423 - 4425
• a: 28.368 ± 0.003 Å
• b: 28.368 ± 0.003 Å
• c: 33.958 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 27327 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 108
• Hermann-Mauguin space group symbol: I 4 c m
• Hall space group symbol: I 4 -2c
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No