Information card for entry 7237154

Structure parameters

• Formula: C48 H36 Cu4 N12 O12
• Calculated formula: C48 H36 Cu4 N12 O12
• Title of publication: An antiferromagnetic metalloring pyrazolate (Pz) framework with [Cu12(μ2-OH)12(Pz)12] nodes for separation of C2H2/CH4 mixture
• Authors of publication: Li, Ziyin; Ye, Yingxiang; Yao, Zizhu; Guo, Junzhi; Lin, Quanjie; Zhang, Jindan; Zhang, Zhangjing; Wei, Fangfang; Xiang, Shengchang
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 40
• Pages of publication: 19681
• a: 26.0992 ± 0.0004 Å
• b: 26.0992 ± 0.0004 Å
• c: 9.2584 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5461.61 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No