Crystallography Open Database

Information card for entry 4325237

Preview

Coordinates	4325237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H44 Cl4 N2 O4 U
Calculated formula	C40 H44 Cl4 N2 O4 U
SMILES	C(C)(C)(C)[N]1[U]2(OC(=CC(c3ccccc3)=[N]2C(C)(C)C)c2ccccc2)(=O)(=O)OC(=CC=1c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
Title of publication	Facile Reduction of a Uranyl(VI) β-Ketoiminate Complex to U(IV) Upon Oxo Silylation
Authors of publication	Jessie L. Brown; Charles C. Mokhtarzadeh; Jeremie M. Lever; Guang Wu; Trevor W. Hayton
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	5105 - 5112
a	9.5091 ± 0.0019 Å
b	9.552 ± 0.002 Å
c	11.408 ± 0.002 Å
α	98.382 ± 0.003°
β	97.715 ± 0.003°
γ	99.983 ± 0.003°
Cell volume	996 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0651
Weighted residual factors for all reflections included in the refinement	0.0656
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
179355 (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 4/32/52.	4325237.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325237.cif
43690	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325237 via cif-deposit CGI script.	4325237.cif