Information card for entry 7700136

Structure parameters

• Formula: C68 H76 Cl2 Co2 N28 O24
• Calculated formula: C68 H71.2 Cl2 Co2 N28 O24
• 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: 14.256 ± 0.005 Å
• b: 19.149 ± 0.005 Å
• c: 14.83 ± 0.005 Å
• α: 90°
• β: 110.087 ± 0.005°
• γ: 90°
• Cell volume: 3802 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.02 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: 0.0515
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No