Information card for entry 4350670

Structure parameters

• Formula: C66 H68 N10 O27 Zn4
• Calculated formula: C66 H68 N10 O27 Zn4
• Title of publication: Targeted structure modulation of "pillar-layered" metal-organic frameworks for CO₂ capture.
• Authors of publication: Xuan, Zhi-Hong; Zhang, Da-Shuai; Chang, Ze; Hu, Tong-Liang; Bu, Xian-He
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 8985 - 8990
• a: 30.186 ± 0.006 Å
• b: 13.928 ± 0.002 Å
• c: 18.957 ± 0.004 Å
• α: 90°
• β: 114.668 ± 0.003°
• γ: 90°
• Cell volume: 7243 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.0794
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.1724
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No