Information card for entry 4343211

Structure parameters

• Formula: C72 H42 Cu6 N2 O30
• Calculated formula: C72 H30 Cu6 N2 O30
• Title of publication: Novel microporous metal-organic framework exhibiting high acetylene and methane storage capacities.
• Authors of publication: Duan, Xing; Wu, Chuande; Xiang, Shengchang; Zhou, Wei; Yildirim, Taner; Cui, Yuanjing; Yang, Yu; Chen, Banglin; Qian, Guodong
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 4377 - 4381
• a: 14.4693 ± 0.0008 Å
• b: 65.138 ± 0.003 Å
• c: 28.8888 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 27228 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.1346
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.2216
• Weighted residual factors for all reflections included in the refinement: 0.2473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No