Crystallography Open Database

Information card for entry 4126339

Preview

Coordinates	4126339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H239 Br12 K2 O180.5 P2 Ta6 W18
Calculated formula	C96 H160 Br12 K1.5 O148 P2 Ta6 W18
Title of publication	Polyoxometalate, Cationic Cluster and γ-Cyclodextrin. From Primary Interactions to Supramolecular Hybrid Materials.
Authors of publication	Moussawi, Mhamad Aly; Leclerc-Laronze, Nathalie; Floquet, Sébastien; Abramov, Pavel A.; Sokolov, Maxim Nailyevich; Cordier, Stephane; Ponchel, Anne; Monflier, Eric; Bricout, Herve; Landy, David; Haouas, Mohamed; Marrot, Jerome; Cadot, Emmanuel
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
a	23.985 ± 0.003 Å
b	23.985 ± 0.003 Å
c	89.175 ± 0.018 Å
α	90°
β	90°
γ	90°
Cell volume	51301 ± 14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.1561
Residual factor for significantly intense reflections	0.1025
Weighted residual factors for significantly intense reflections	0.2349
Weighted residual factors for all reflections included in the refinement	0.2802
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.72931 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
200094 (current)	2017-09-02	cif/ Adding structures of 4126339 via cif-deposit CGI script.	4126339.cif