Information card for entry 7039969

Structure parameters

• Formula: C112 H121 N52 O38 U2
• Calculated formula: C112 H121 N52 O38 U2
• Title of publication: First three-dimensional actinide polyrotaxane framework mediated by windmill-like six-connected oligomeric uranyl: dual roles of the pseudorotaxane precursor.
• Authors of publication: Mei, Lei; Xie, Zhen-Ni; Hu, Kong-Qiu; Wang, Lin; Yuan, Li-Yong; Li, Zi-Jie; Chai, Zhi-Fang; Shi, Wei-Qun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 13304 - 13307
• a: 17.5238 ± 0.0006 Å
• b: 21.4858 ± 0.0005 Å
• c: 22.2555 ± 0.0007 Å
• α: 106.51 ± 0.002°
• β: 105.257 ± 0.003°
• γ: 105.879 ± 0.002°
• Cell volume: 7180 ± 0.4 ų
• Cell temperature: 296.44 ± 0.1 K
• Ambient diffraction temperature: 296.44 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No