Information card for entry 7118354

Structure parameters

• Chemical name: UTSA-67
• Formula: C20 H12 N O5.5 Zn
• Calculated formula: C20 H12 N O5.5 Zn
• Title of publication: High acetylene/ethylene separation in a microporous zinc(ii) metal-organic framework with low binding energy.
• Authors of publication: Wen, Hui-Min; Li, Bin; Wang, Hailong; Krishna, Rajamani; Chen, Banglin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1166 - 1169
• a: 15.9684 ± 0.0005 Å
• b: 15.9684 ± 0.0005 Å
• c: 33.649 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7430.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.1616
• Residual factor for significantly intense reflections: 0.1139
• Weighted residual factors for significantly intense reflections: 0.2978
• Weighted residual factors for all reflections included in the refinement: 0.3341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No