Crystallography Open Database

Information card for entry 4109970

Preview

Coordinates	4109970.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H47 F3 N O3 S U
Calculated formula	C33 H47 F3 N O3 S U
SMILES	[U]12345678(OS(=O)(=O)C(F)(F)F)(=Nc9c(cccc9C(C)C)C(C)C)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
Title of publication	Facile Access to Pentavalent Uranium Organometallics: One-Electron Oxidation of Uranium(IV) Imido Complexes with Copper(I) Salts
Authors of publication	Christopher R. Graves; Brian L. Scott; David E. Morris; Jaqueline L. Kiplinger
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	11914 - 11915
a	10.005 ± 0.002 Å
b	10.514 ± 0.002 Å
c	17.37 ± 0.004 Å
α	76.628 ± 0.002°
β	77.703 ± 0.002°
γ	68.935 ± 0.002°
Cell volume	1641.8 ± 0.6 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 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	0.0594
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
178845 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/99.	4109970.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109970.cif
58749	2012-05-30	cif/ Adding structures of 4109970 via cif-deposit CGI script.	4109970.cif