Information card for entry 7124063

Structure parameters

• Formula: C36 H18 Cu2 N0 O10
• Calculated formula: C35 H18 Cu2 O10
• Title of publication: Tailoring pore geometry and chemistry in microporous metal‒organic frameworks for high methane storage working capacity
• Authors of publication: Shao, Kai; Pei, Jiyan; Wang, Jia-Xin; Yu, Yang; Cui, Yuanjing; Zhou, Wei; Yildirim, Taner; Li, Bin; Chen, Banglin; Qian, Guodong
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 18.6721 ± 0.0004 Å
• b: 18.6721 ± 0.0004 Å
• c: 52.02 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15706.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1881
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No