Information card for entry 1548264

Structure parameters

• Formula: C11.5 H7.5 Cu O5.5
• Calculated formula: C11.5 H6 Cu O5.5
• Title of publication: A porous metal-organic framework with ultrahigh acetylene uptake capacity under ambient conditions
• Authors of publication: Jiandong Pang; Feilong Jiang; Mingyan Wu; Caiping Liu; Kongzhao Su; Weigang Lu; Daqiang Yuan; Maochun Hong
• Journal of publication: Nature Communications
• Year of publication: 2015
• Journal volume: 6
• Pages of publication: 7575
• a: 17.9257 ± 0.0003 Å
• b: 17.9257 ± 0.0003 Å
• c: 28.0627 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9017.4 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 134
• Hermann-Mauguin space group symbol: P 42/n n m
• Hall space group symbol: -P 4ac 2bc
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No