Information card for entry 1515077

Structure parameters

• Formula: C81 H28 Cu2 O18
• Calculated formula: C81 H28 Cu2 O18
• Title of publication: A high connectivity metal‒organic framework with exceptional hydrogen and methane uptake capacities
• Authors of publication: Liu, Demin; Wu, Haohan; Wang, Shunzhi; Xie, Zhigang; Li, Jing; Lin, Wenbin
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 3032
• a: 28.532 ± 0.003 Å
• b: 33.426 ± 0.003 Å
• c: 16.0881 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15343 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 50
• Hermann-Mauguin space group symbol: P b a n :2
• Hall space group symbol: -P 2ab 2b
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1823
• Weighted residual factors for all reflections included in the refinement: 0.1957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No