Crystallography Open Database

Information card for entry 4345614

Preview

Coordinates	4345614.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	LiU24Fe24
Chemical name	U-Fe cluster
Formula	C96 Fe48 Li12 O956 P112 U48
Calculated formula	C96 Fe48 Li12 O956 P112 U48
Title of publication	Uranyl-Peroxide Clusters Incorporating Iron Trimers and Bridging by Bisphosphonate- and Carboxylate-Containing Ligands.
Authors of publication	Qiu, Jie; Dong, Sining; Szymanowski, Jennifer E. S.; Dobrowolska, Malgorzata; Burns, Peter C.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	7
Pages of publication	3738 - 3741
a	41.196 ± 0.005 Å
b	41.196 ± 0.005 Å
c	41.196 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	69914 ± 15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.1218
Residual factor for significantly intense reflections	0.0865
Weighted residual factors for significantly intense reflections	0.2495
Weighted residual factors for all reflections included in the refinement	0.3012
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
194726 (current)	2017-04-04	cif/ Adding structures of 4345614 via cif-deposit CGI script.	4345614.cif