Information card for entry 7112377

Structure parameters

• Formula: C29 H18 Cu2 O10
• Calculated formula: C29 H14 Cu2 O10
• Title of publication: A microporous metal-organic framework of a rare sty topology for high CH4 storage at room temperature.
• Authors of publication: Duan, Xing; Yu, Jiancan; Cai, Jianfeng; He, Yabing; Wu, Chuande; Zhou, Wei; Yildirim, Taner; Zhang, Zhangjing; Xiang, Shengchang; O'Keeffe, Michael; Chen, Banglin; Qian, Guodong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 20
• Pages of publication: 2043 - 2045
• a: 18.2512 ± 0.0008 Å
• b: 18.2512 ± 0.0008 Å
• c: 34.2802 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9889.1 ± 0.7 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.1067
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7108909
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No