Information card for entry 4508490

Structure parameters

• Formula: C54 H24 Cu6 N6 O35.56
• Calculated formula: C54 H24 Cu6 N6 O35.565
• Title of publication: High-Capacity Gas Storage by a Microporous Oxalamide-Functionalized NbO-Type Metal‒Organic Framework
• Authors of publication: Wang, Zhaoxu; Zheng, Baishu; Liu, Heting; Lin, Xiu; Yu, Xianyong; Yi, Pinggui; Yun, Ruirui
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 5001
• a: 28.18 ± 0.002 Å
• b: 18.404 ± 0.0014 Å
• c: 32.044 ± 0.002 Å
• α: 90°
• β: 112.174 ± 0.001°
• γ: 90°
• Cell volume: 15389.7 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No