Information card for entry 7125374

Structure parameters

• Formula: C25 H19 Cu2 O12
• Calculated formula: C25 H16 Cu2 O12
• Title of publication: A robust cage-based framework for the highly selective purification of natural gas.
• Authors of publication: Hu, Falu; Huang, Pan; Di, Zhengyi; Wu, Mingyan; Jiang, Feilong; Hong, Maochun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 69
• Pages of publication: 10257 - 10260
• a: 18.9546 ± 0.0005 Å
• b: 18.9546 ± 0.0005 Å
• c: 13.4969 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4849.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No