Crystallography Open Database

Information card for entry 1515064

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Coordinates	1515064.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1515064.cif
110855	2014-04-20	cif/ Adding structures of 1515064, 1515065 via cif-deposit CGI script.	1515064.cif