Crystallography Open Database

Information card for entry 4109967

Preview

Coordinates	4109967.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H52 N S U
Calculated formula	C38 H52 N S U
SMILES	[U]12345678(Sc9ccccc9)(=Nc9c(cccc9C(C)C)C(C)C)([c]9([c]1([c]2([c]3([c]49C)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	12.0083 ± 0.0014 Å
b	18.205 ± 0.002 Å
c	15.6133 ± 0.0018 Å
α	90°
β	99.049 ± 0.001°
γ	90°
Cell volume	3370.8 ± 0.7 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.083
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.305
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.	4109967.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109967.cif
58746	2012-05-30	cif/ Adding structures of 4109967 via cif-deposit CGI script.	4109967.cif