Information card for entry 7703678

Structure parameters

• Formula: C62 H72 Cl2 Cu3 N28 O26
• Calculated formula: C62 H72 Cl2 Cu3 N28 O26
• Title of publication: Syntheses of cucurbit[6]uril-based metal-organic rotaxane networks by the anion regulation strategy and their proton conduction properties.
• Authors of publication: Wu, Xue-Song; Cheng, Dong-Ming; Wang, Xin-Long; Sun, Jing; Zang, Hong-Ying; Su, Zhong-Min
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 6
• Pages of publication: 1747 - 1751
• a: 11.98 ± 0.005 Å
• b: 12.321 ± 0.005 Å
• c: 12.797 ± 0.005 Å
• α: 76.231 ± 0.005°
• β: 75.919 ± 0.005°
• γ: 83.363 ± 0.005°
• Cell volume: 1776.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.067
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No