Information card for entry 7105110

Structure parameters

• Common name: Cu2(C18H6O8)(H2O)2
• Formula: C18 H10 Cu2 O10
• Calculated formula: C18 H6 Cu2 O10
• Title of publication: A new MOF-505 analog exhibiting high acetylene storage
• Authors of publication: Yunxia Hu; Shengchang Xiang; Wenwei Zhang; Zhuxiu Zhang; Lei Wang; Junfeng Bai; Banglin Chen
• Journal of publication: Chem. Commun.
• Year of publication: 2009
• Pages of publication: 7551 - 7553
• a: 18.6844 ± 0.0011 Å
• b: 18.6844 ± 0.0011 Å
• c: 32.862 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9935.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1052
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No