Information card for entry 7244652

Structure parameters

• Formula: C48 H42 Cl12 Cu8 N8 O25 Sc4
• Calculated formula: C48 H42 Cl12 Cu8 N8 O25 Sc4
• Title of publication: Synthesis, structure and highly selective C3H8/CH4 and C2H6/CH4 adsorption of a (4,8)-c ternary flu-metal–organic framework based upon both [Sc4O2(COO)8] and [Cu4OCl6] clusters
• Authors of publication: Ding, Min; Wang, Qian; Cheng, Hongtao; Bai, Junfeng
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 19.6298 ± 0.0012 Å
• b: 20.2011 ± 0.0012 Å
• c: 20.3398 ± 0.0011 Å
• α: 82.881 ± 0.002°
• β: 78.746 ± 0.002°
• γ: 87.263 ± 0.002°
• Cell volume: 7847.2 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.2168
• Weighted residual factors for all reflections included in the refinement: 0.2312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No