Information card for entry 4343480

Structure parameters

• Formula: C78 H92 Cl4 Cu4 N12 O32
• Calculated formula: C78 H92 Cl4 Cu4 N12 O32
• 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: 7.1195 ± 0.0009 Å
• b: 17.584 ± 0.002 Å
• c: 18.791 ± 0.002 Å
• α: 105.772 ± 0.002°
• β: 95.212 ± 0.003°
• γ: 96.396 ± 0.003°
• Cell volume: 2231.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No