Crystallography Open Database

Information card for entry 1513726

Preview

Coordinates	1513726.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	U124P32
Formula	K19 O223.5 P8 U31
Calculated formula	K19 O223.5 P8 U31
Title of publication	Water-soluble multi-cage super tetrahedral uranyl peroxide phosphate clusters
Authors of publication	Qiu, Jie; Ling, Jie; Jouffret, Laurent; Thomas, Rebecca; Szymanowski, Jennifer E. S.; Burns, Peter C.
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	1
Pages of publication	303
a	41 ± 0.003 Å
b	41 ± 0.003 Å
c	32.818 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	55167 ± 7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0993
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1551
Weighted residual factors for all reflections included in the refinement	0.1799
Goodness-of-fit parameter for all reflections included in the refinement	1.191
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.	1513726.cif
105119	2014-03-11	cif/ Adding structures of 1513726 via cif-deposit CGI script.	1513726.cif