Information card for entry 7121931

Structure parameters

• Formula: C108 H112 Cl2 N52 O42 U
• Calculated formula: C108 H112 Cl2 N52 O42 U
• Title of publication: A neptunium(v)-mediated interwoven transuranium-rotaxane network incorporating a mechanically interlocked [c2]daisy chain unit.
• Authors of publication: Mei, Lei; Xu, Chao; Wu, Qun-Yan; Hu, Kong-Qiu; Yuan, Li-Yong; Chen, Jing; Xiao, Cheng-Liang; Wang, Shu-Ao; Chai, Zhi-Fang; Shi, Wei-Qun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 62
• Pages of publication: 8645 - 8648
• a: 12.7487 ± 0.0006 Å
• b: 15.3678 ± 0.0007 Å
• c: 17.1021 ± 0.0008 Å
• α: 90.328 ± 0.002°
• β: 97.214 ± 0.002°
• γ: 95.183 ± 0.002°
• Cell volume: 3310 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170.01 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: 0.0471
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No