Crystallography Open Database

Information card for entry 1507931

Preview

Coordinates	1507931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H86 Cl6 N4 P4 Si4 U2
Calculated formula	C69 H86 Cl6 N4 P4 Si4 U2
Title of publication	A delocalized arene-bridged diuranium single-molecule magnet.
Authors of publication	Mills, David P.; Moro, Fabrizio; McMaster, Jonathan; van Slageren, Joris; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.
Journal of publication	Nature chemistry
Year of publication	2011
Journal volume	3
Journal issue	6
Pages of publication	454 - 460
a	12.3462 ± 0.0016 Å
b	13.0526 ± 0.0018 Å
c	13.5703 ± 0.0018 Å
α	106.254 ± 0.002°
β	101.926 ± 0.002°
γ	105.292 ± 0.002°
Cell volume	1930 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507931.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507931.cif
62477	2012-07-09	cif/ Adding structures of 1507931 via cif-deposit CGI script.	1507931.cif