Information card for entry 7207256

Structure parameters

• Formula: C81 H68 Cu3 N6 O16
• Calculated formula: C81 H68 Cu3 N6 O16
• Title of publication: Homochiral assembly of polycatenated bilayers with mixing achiral ligands
• Authors of publication: Liu, Juan; Tan, Yan-Xi; Wang, Fei; Kang, Yao; Zhang, Jian
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 789
• a: 15.3011 ± 0.0012 Å
• b: 20.084 ± 0.002 Å
• c: 25.52 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7842.5 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1279
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.1955
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No