Crystallography Open Database

Information card for entry 1515065

Preview

Coordinates	1515065.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515065.cif
110855	2014-04-20	cif/ Adding structures of 1515064, 1515065 via cif-deposit CGI script.	1515065.cif