Crystallography Open Database

Information card for entry 4131877

Preview

Coordinates	4131877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H168 N13 Na19 O254 P4 Te4 W64
Calculated formula	C1.6 N0.9 Na4.2 O264.3 P4 Te4 W64
Title of publication	Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters.
Authors of publication	Zheng, Qi; Vilà-Nadal, Laia; Lang, Zhongling; Chen, Jia-Jia; Long, De-Liang; Mathieson, Jennifer S.; Poblet, Josep M.; Cronin, Leroy
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	7
Pages of publication	2595 - 2601
a	15.2204 ± 0.0006 Å
b	37.8175 ± 0.0016 Å
c	29.2768 ± 0.0013 Å
α	90°
β	103.518 ± 0.002°
γ	90°
Cell volume	16384.8 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1198
Residual factor for significantly intense reflections	0.0979
Weighted residual factors for significantly intense reflections	0.2011
Weighted residual factors for all reflections included in the refinement	0.214
Goodness-of-fit parameter for all reflections included in the refinement	1.253
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
241971 (current)	2019-11-25	cif/ Adding structures of 4131877 via cif-deposit CGI script.	4131877.cif