Crystallography Open Database

Information card for entry 4118413

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Coordinates	4118413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H162 N2 O8 U2
Calculated formula	C124 H152 N2 O8 U2
Title of publication	Uranium(III)-Mediated C-C-Coupling of Terminal Alkynes: Formation of Dinuclear Uranium(IV) Vinyl Complexes
Authors of publication	Boris Kosog; Christos E. Kefalidis; Frank W. Heinemann; Laurent Maron; Karsten Meyer
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	12792 - 12797
a	15.308 ± 0.002 Å
b	16.227 ± 0.0008 Å
c	22.224 ± 0.003 Å
α	102.031 ± 0.005°
β	101.942 ± 0.009°
γ	91.137 ± 0.008°
Cell volume	5270.9 ± 1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0653
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0711
Weighted residual factors for all reflections included in the refinement	0.0802
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4118413.cif
75950	2013-03-14	cif/ Adding structures of 4118413 via cif-deposit CGI script.	4118413.cif