Information card for entry 4343477

Structure parameters

• Formula: C84 H84 Cl4 Cu4 N12 O26
• Calculated formula: C84 H84 Cl4 Cu4 N12 O26
• 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: 25.5897 ± 0.0019 Å
• b: 25.5897 ± 0.0019 Å
• c: 14.4432 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8190.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No