Crystallography Open Database

Information card for entry 4335382

Preview

Coordinates	4335382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H40 K18 Li4 O167 P10 U20
Calculated formula	C70 H40 K18 Li4 O167 P10 U20
Title of publication	Hybrid Uranyl-Carboxyphosphonate Cage Clusters
Authors of publication	Pius O. Adelani; Michael Ozga; Christine M. Wallace; Jie Qiu; Jennifer E. S. Szymanowski; Ginger E. Sigmon; Peter C. Burns
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7673 - 7679
a	17.975 ± 0.003 Å
b	34.567 ± 0.005 Å
c	21.848 ± 0.003 Å
α	90°
β	102.498 ± 0.002°
γ	90°
Cell volume	13253 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0988
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1951
Weighted residual factors for all reflections included in the refinement	0.2078
Goodness-of-fit parameter for all reflections included in the refinement	1.665
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
179456 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/53.	4335382.cif
101309	2014-02-11	cif/ Adding structures of 4335382 via cif-deposit CGI script.	4335382.cif