Information card for entry 7131232

Structure parameters

• Formula: C58 H58 Cu2 F8 N6 O17
• Calculated formula: C46 H20 Cu2 F8 N2 O8
• Title of publication: Dicopper(II) paddle-wheel metal-organic frameworks for high propyne storage under ambient conditions.
• Authors of publication: Fu, Xing-Ping; Shen, Ji-Wei; Chen, Ling; Zhong, De-Xin; Wang, Yu-Ling; Liu, Qing-Yan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 16
• Pages of publication: 2263 - 2266
• a: 27.5946 ± 0.0003 Å
• b: 27.5946 ± 0.0003 Å
• c: 27.5946 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21012.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 223
• Hermann-Mauguin space group symbol: P m -3 n
• Hall space group symbol: -P 4n 2 3
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1823
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No