Information card for entry 7217679

Structure parameters

• Formula: C42 H34 Dy2 N0 O23 S3
• Calculated formula: C42 H34 Dy2 O23 S3
• Title of publication: A 2D→2D polyrotaxane lanthanide‒organic framework showing field-induced single-molecule magnet behaviour
• Authors of publication: Liu, Cai-Ming; Zhang, Deqing; Zhu, Daoben
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 17.772 ± 0.004 Å
• b: 12.695 ± 0.003 Å
• c: 22.095 ± 0.009 Å
• α: 90°
• β: 119.79 ± 0.02°
• γ: 90°
• Cell volume: 4326 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No