Crystallography Open Database

Information card for entry 4109969

Preview

Coordinates	4109969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H47 I N U
Calculated formula	C32 H47 I N U
SMILES	[U]12345678(I)(=Nc9c(cccc9C(C)C)C(C)C)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)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	16.5588 ± 0.0009 Å
b	18.7054 ± 0.001 Å
c	19.5958 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	6069.6 ± 0.6 Å³
Cell temperature	141 ± 2 K
Ambient diffraction temperature	141 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.049
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.0708
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	4109969.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109969.cif
58748	2012-05-30	cif/ Adding structures of 4109969 via cif-deposit CGI script.	4109969.cif