Information card for entry 7032261

Structure parameters

• Formula: C52 H36 Cu2 N8 O8
• Calculated formula: C52 H36 Cu2 N8 O8
• Title of publication: Structural modulation in two Cu(II)-based MOFs by synergistic assembly involving the mixed-ligand synthetic strategy and the solvent effect.
• Authors of publication: Li, Yun-Wu; Li, Da-Cheng; Xu, Jian; Hao, Hong-Guo; Wang, Su-Na; Dou, Jian-Min; Hu, Tong-Liang; Bu, Xian-He
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 42
• Pages of publication: 15708 - 15712
• a: 13.931 ± 0.003 Å
• b: 18.433 ± 0.004 Å
• c: 22.377 ± 0.007 Å
• α: 90°
• β: 127.04 ± 0.02°
• γ: 90°
• Cell volume: 4587 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No