Information card for entry 4518954

Structure parameters

• Formula: C54 H32 Cu6 F6 N26 O15
• Calculated formula: C54 H32 Cu6 F6 N26 O15
• Title of publication: Formation of a N/O/F-Rich and Rooflike Cluster-Based Highly Stable Cu(I/II)-MOF for Promising Pipeline Natural Gas Upgrading by the Recovery of Individual C₃H₈ and C₂H₆ Gases.
• Authors of publication: Cheng, Hongtao; Wang, Qian; Meng, Liuli; Sheng, Pan; Zhang, Zonghui; Ding, Min; Gao, Yajun; Bai, Junfeng
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 34
• Pages of publication: 40713 - 40723
• a: 24.8313 ± 0.0003 Å
• b: 16.5089 ± 0.0002 Å
• c: 22.0041 ± 0.0003 Å
• α: 90°
• β: 111.837 ± 0.001°
• γ: 90°
• Cell volume: 8373.06 ± 0.19 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No