Information card for entry 4343478

Structure parameters

• Formula: C52 H62 Cl2 Cu2 N6 O13
• Calculated formula: C52 H62 Cl2.017 Cu2 N6 O13.068
• Title of publication: Spacer-Directed Selective Assembly of Copper Square or Hexagon and Ring-Stacks or Coordination Nanotubes.
• Authors of publication: Wu, Xialu; Ding, Nini; Zhang, Wenhua; Xue, Fei; Hor, T. S. Andy
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 14
• Pages of publication: 6680 - 6686
• a: 15.5447 ± 0.0015 Å
• b: 9.9691 ± 0.001 Å
• c: 41.113 ± 0.004 Å
• α: 90°
• β: 90.601 ± 0.003°
• γ: 90°
• Cell volume: 6370.8 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.1093
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2305
• Weighted residual factors for all reflections included in the refinement: 0.2384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No