Information card for entry 4501966

Structure parameters

• Formula: C56 H74 Cl2 Cu N28 O16
• Calculated formula: C56 H66 Cl2 Cu N28 O16
• Title of publication: Use of Silver(I) and Copper(II) Ions to Assist the Self-Assembly of Polyrotaxanes Incorporating Symmetrical α,α′,δ,δ′-Tetramethyl-cucurbit[6]uril
• Authors of publication: Zeng, Jin-Ping; Zhang, Shi-Min; Zhang, Yun-Qian; Tao, Zhu; Zhu, Qian-Jiang; Xue, Sai-Feng; Wei, Gang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 4509
• a: 15.827 ± 0.003 Å
• b: 17.156 ± 0.004 Å
• c: 18.372 ± 0.004 Å
• α: 83.778 ± 0.004°
• β: 67.354 ± 0.003°
• γ: 64.708 ± 0.003°
• Cell volume: 4153.2 ± 1.5 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: 0.1362
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.21
• Weighted residual factors for all reflections included in the refinement: 0.2441
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No