Crystallography Open Database

Information card for entry 4324238

Preview

Coordinates	4324238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H60 Li N5 O2 U
Calculated formula	C29 H60 Li N5 O2 U
SMILES	[O]1(CC[O](C)[Li]21[N]1([U]([N]32CCCCC3)(N2CCCCC2)(N2CCCCC2)N2CCCCC2)CCCCC1)C
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	11.261 ± 0.009 Å
b	11.261 ± 0.009 Å
c	22.75 ± 0.02 Å
α	90°
β	90°
γ	120°
Cell volume	2498 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	145
Hermann-Mauguin space group symbol	P 32
Hall space group symbol	P 32
Residual factor for all reflections	0.0643
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.153
Weighted residual factors for all reflections included in the refinement	0.1558
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	4324238.cif
132410	2015-02-25	cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ \| perl -ne 'print $1."\n" if /\b(\d{7})\s$/' \ \| codid2file \ \| xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s? ( \n ; \s? \n ; \| '\'' \s '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse'	4324238.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324238.cif
40943	2012-03-09	../uploads/cif-deposit/cod/cif Adding structures of 4324238 via cif-deposit CGI script.	4324238.cif