Information card for entry 4513537

Structure parameters

• Formula: C120 H142 Cd4 Cl8 N56 O39
• Calculated formula: C120 H124 Cd4 Cl8 N56 O39
• Title of publication: Metal‒Organic Rotaxane Frameworks Assembly by Cucurbit[6]uril-Based Pseudorotaxanes and Mixed Ligands
• Authors of publication: Wu, Xue-Song; Liang, Jun; Hu, Xiao-Li; Wang, Xin-Long; Song, Bai-Qiao; Jiao, Yan-Qing; Su, Zhong-Min
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 4311
• a: 14.431 ± 0.005 Å
• b: 15.645 ± 0.005 Å
• c: 18.541 ± 0.005 Å
• α: 87.253 ± 0.005°
• β: 72.501 ± 0.005°
• γ: 63.291 ± 0.005°
• Cell volume: 3547.6 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0835
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No