Crystallography Open Database

Information card for entry 4324236

Preview

Coordinates	4324236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H108 Cl2 Li4 N6 O8 U
Calculated formula	C46 H108 Cl2 Li4 N6 O8 U
SMILES	[U](N([Li]12[Cl][Li]34([O](C)CC[O]3C)[O](C)CC[O]4C)C(C)(C)C)(N1C(C)(C)C)(N2C(C)(C)C)(N([Li]12[Cl][Li]34([O](C)CC[O]3C)[O](C)CC[O]4C)C(C)(C)C)(N1C(C)(C)C)N2C(C)(C)C.C(C)CCCC
Title of publication	Comparison of the Redox Chemistry of Primary and Secondary Amides of U(IV): Isolation of a U(VI) Bis(imido) Complex or a Homoleptic U(VI) Amido Complex
Authors of publication	Lani A. Seaman; Skye Fortier; Guang Wu; Trevor W. Hayton
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	636 - 646
a	10.866 ± 0.005 Å
b	11.072 ± 0.005 Å
c	14.719 ± 0.007 Å
α	78.666 ± 0.007°
β	77.331 ± 0.007°
γ	71.05 ± 0.007°
Cell volume	1618.9 ± 1.3 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	0.0409
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1081
Weighted residual factors for all reflections included in the refinement	0.1082
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179345 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/42.	4324236.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324236.cif
40941	2012-03-09	../uploads/cif-deposit/cod/cif Adding structures of 4324236 via cif-deposit CGI script.	4324236.cif