Crystallography Open Database

Information card for entry 1507934

Preview

Coordinates	1507934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87.63 H110 Cl1.2 I0.8 N4 P4 Si4 U2
Calculated formula	C69 H86 Cl1.224 I0.78 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	17.3132 ± 0.0009 Å
b	27.8758 ± 0.0015 Å
c	36.903 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	17810 ± 2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	8
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1214
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	1507934.cif
176435	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.	1507934.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507934.cif
62480	2012-07-09	cif/ Adding structures of 1507934 via cif-deposit CGI script.	1507934.cif