Information card for entry 1553417

Structure parameters

• Chemical name: ZnTETA
• Formula: C78 H82 N4 O16 Zn3
• Calculated formula: C78 H82 N4 O16 Zn3
• Title of publication: Two-dimensional metal‒organic frameworks for selective separation of CO2/CH4 and CO2/N2
• Authors of publication: King, Stephen Charles; Lin, Rui-Biao; Wang, Hailong; Arman, Hadi D.; Chen, Banglin
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 1
• Journal issue: 8
• Pages of publication: 1514
• a: 11.4427 ± 0.0017 Å
• b: 14.514 ± 0.002 Å
• c: 16.196 ± 0.003 Å
• α: 65.694 ± 0.005°
• β: 69.783 ± 0.005°
• γ: 73.998 ± 0.005°
• Cell volume: 2272.2 ± 0.6 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.172
• Residual factor for significantly intense reflections: 0.1319
• Weighted residual factors for significantly intense reflections: 0.318
• Weighted residual factors for all reflections included in the refinement: 0.3495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No