Information card for entry 1515064

Structure parameters

• Formula: C101.5 H146.5 O96 Pb14
• Calculated formula: C102 H135 O96 Pb14
• SMILES: [Pb]123[O]4[Pb]56[O]7[Pb]89[O]%10[Pb]%11%12[O]%13[Pb]%14%15[O]%16[Pb]%17%18[O]%19[Pb]%20%21[O]%22[Pb]%23%24[O]%25[Pb]%26%27[O]%28[Pb]%29%30[O]%31[Pb]%32%33[O]%34[Pb]%35%36[O]%37[Pb]%38%39[O]%40[Pb]%41([O]1[C@@H]1[C@@H]4[C@@H]4O[C@H]%42O[C@@H]([C@@H](O[C@H]%43O[C@@H]([C@@H](O[C@H]%44O[C@@H]([C@@H](O[C@H]%45O[C@@H]([C@@H](O[C@H]%46O[C@@H]([C@@H](O[C@H]%47O[C@@H]([C@@H](O[C@H]1O[C@@H]4CO)[C@H]%40[C@@H]%37%47)CO)[C@H]%34[C@@H]%31%46)CO)[C@H]%28[C@@H]%25%45)CO)[C@H]%22[C@@H]%19%44)CO)[C@H]%16[C@@H]%13%43)CO)[C@H]%10[C@@H]7%42)CO)[O]2[C@H]1[C@@H]2O[C@H]4O[C@@H]([C@@H](O[C@H]7O[C@@H]([C@@H](O[C@H]%10O[C@@H]([C@@H](O[C@H]%13O[C@@H]([C@@H](O[C@H]%16O[C@@H]([C@@H](O[C@H]%19O[C@@H]([C@@H](O[C@@H](O[C@@H]2CO)[C@@H]1[O]35)[C@H]([O]68)[C@H]%19[O]9%11)CO)[C@H]([O]%12%14)[C@H]%16[O]%15%17)CO)[C@H]([O]%18%20)[C@H]%13[O]%21%23)CO)[C@H]([O]%24%26)[C@H]%10[O]%27%29)CO)[C@H]([O]%30%32)[C@H]7[O]%33%35)CO)[C@H]([O]%36%38)[C@H]4[O]%39%41)CO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.OC1CCCCC1.O.O.O.OC1CCCCC1.OC1CCCCC1
• Title of publication: Pb(ii) metal‒organic nanotubes based on cyclodextrins: biphasic synthesis, structures and properties
• Authors of publication: Wei, Yanhui; Sun, Di; Yuan, Daqiang; Liu, Yongjun; Zhao, Yi; Li, Xiyou; Wang, Suna; Dou, Jianmin; Wang, Xingpo; Hao, Aiyou; Sun, Daofeng
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 7
• Pages of publication: 2282
• a: 15.6077 ± 0.0013 Å
• b: 24.196 ± 0.002 Å
• c: 38.766 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14640 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No