Information card for entry 4349977

Structure parameters

• Formula: C25 H43 Cl Cu2 N8 O10
• Calculated formula: C9 H3 Cl Cu2 N4 O6
• Title of publication: Two unique copper cluster-based metal‒organic frameworks with high performance for CO2 adsorption and separation
• Authors of publication: Yuan, Jiaqi; Li, Jiantang; Che, Songtian; Li, Guanghua; Liu, Xinyao; Sun, Xiaodong; Zou, Lifei; Zhang, Lirong; Liu, Yunling
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 556
• a: 18.429 ± 0.003 Å
• b: 18.429 ± 0.003 Å
• c: 15.739 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4629.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 164
• Hermann-Mauguin space group symbol: P -3 m 1
• Hall space group symbol: -P 3 2"
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No