Crystallography Open Database

Information card for entry 1515613

Preview

Coordinates	1515613.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H130 K24 O177 Te8 W28
Calculated formula	K23.2 O150.878 Te8 W28
Title of publication	Self-assembly of a family of macrocyclic polyoxotungstates with emergent material properties
Authors of publication	Gao, Jing; Yan, Jun; Mitchell, Scott G.; Miras, Haralampos N.; Boulay, Antoine G.; Long, De-Liang; Cronin, Leroy
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	8
Pages of publication	1502
a	19.7207 ± 0.0004 Å
b	37.8627 ± 0.0011 Å
c	22.6396 ± 0.0004 Å
α	90°
β	104.374 ± 0.002°
γ	90°
Cell volume	16375.3 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1251
Residual factor for significantly intense reflections	0.0681
Weighted residual factors for significantly intense reflections	0.1189
Weighted residual factors for all reflections included in the refinement	0.1452
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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.	1515613.cif
111882	2014-04-28	cif/ Adding structures of 1515612, 1515613, 1515614, 1515615, 1515616 via cif-deposit CGI script.	1515613.cif