Information card for entry 1515065

Structure parameters

• Formula: C96 H128 O89 Pb16
• Calculated formula: C96 H128 O89 Pb16
• 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]%26[C@H]%26[C@H]%31[C@@H](CO)O[C@H]%32[C@@H]%26[O]%29[Pb]%26%29[O]%33[Pb]%34%35[O]%36[Pb]%37%38[O]%39[Pb]%40%41[O]%42[Pb]%43%44[O]%45[Pb]%46([O]1[C@H]1[C@H]%47[C@@H](CO)O[C@@H]([C@H]%451)O[C@H]1[C@H]%42[C@@H]%39[C@H](O[C@@H]1CO)O[C@@H]1[C@@H](CO)O[C@@H]([C@H]%33[C@@H]%361)O[C@H]1[C@@H]([C@@H]%28[C@H](O[C@@H]1CO)O[C@@H]1[C@@H](CO)O[C@@H]([C@H]%22[C@@H]%251)O[C@H]1[C@H]%19[C@@H]%16[C@@H](O[C@@H]%16[C@@H](CO)O[C@@H]([C@H]%10[C@@H]%13%16)O[C@@H]%10[C@@H](CO)O[C@@H]([C@H]4[C@@H]7%10)O%47)O[C@@H]1CO)[O]%30%29)[O]3[C@@H]1[C@H]([C@@H]([C@@H](CO)O[C@@H]1O[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3[O]8%12)[O]%11%15)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3[O]%14%17)[O]%18%21)O[C@@H]3[C@@H](CO)O[C@@H]([C@@H]([C@H]3[O]%20%24)[O]%23%27)O%31)O[C@@H]1CO)[O]59)[O]26)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O%32)[O]%26%35)[O]%34%38)[O]%37%41)[O]%40%44)[O]%43%46.O.O.O.O.O.O.O.O.O
• 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: 20.126 ± 0.003 Å
• b: 18.866 ± 0.003 Å
• c: 22.188 ± 0.004 Å
• α: 90°
• β: 94.783 ± 0.002°
• γ: 90°
• Cell volume: 8395 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No