Information card for entry 7700137

Structure parameters

• Formula: C70 H80 Co2 N28 O31
• Calculated formula: C70 H78 Co2 N28 O31
• Title of publication: Syntheses and magnetic properties of high-dimensional cucurbit[6]uril-based metal-organic rotaxane frameworks.
• Authors of publication: Wu, Xue-Song; Bao, Hong-Fei; Zhu, Fu-Long; Sun, Jing; Wang, Xin-Long; Su, Zhong-Min
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 27
• Pages of publication: 9939 - 9943
• a: 19.034 ± 0.005 Å
• b: 14.409 ± 0.005 Å
• c: 27.801 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7625 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.02 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1361
• Residual factor for significantly intense reflections: 0.1019
• Weighted residual factors for significantly intense reflections: 0.2236
• Weighted residual factors for all reflections included in the refinement: 0.2386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No