Crystallography Open Database

Information card for entry 4131879

Preview

Coordinates	4131879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H276 As4 N19 Na17 O284 P4 W64
Calculated formula	C6.7 As4 N3.35 Na8.55 O276.85 P4 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	57.258 ± 0.003 Å
b	15.0627 ± 0.0008 Å
c	77.278 ± 0.004 Å
α	90°
β	91.453 ± 0.006°
γ	90°
Cell volume	66628 ± 6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1195
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.1527
Weighted residual factors for all reflections included in the refinement	0.1804
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
241973 (current)	2019-11-25	cif/ Adding structures of 4131879 via cif-deposit CGI script.	4131879.cif