Information card for entry 7121929

Structure parameters

• Formula: C108 H114 Cl4 N52 O62
• Calculated formula: C108 H114 Cl4 N52 O62
• 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: 12.687 ± 0.0012 Å
• b: 15.9445 ± 0.0015 Å
• c: 35.622 ± 0.003 Å
• α: 86.375 ± 0.005°
• β: 88.628 ± 0.005°
• γ: 67.119 ± 0.004°
• Cell volume: 6625.6 ± 1.1 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 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: 0.2023
• Residual factor for significantly intense reflections: 0.129
• Weighted residual factors for significantly intense reflections: 0.3611
• Weighted residual factors for all reflections included in the refinement: 0.4344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No