Crystallography Open Database

Information card for entry 4069880

Preview

Coordinates	4069880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H64 Cu2 Fe2 Li2 O6
Calculated formula	C44 H64 Cu2 Fe2 Li2 O6
Title of publication	Structures of Lithium Ferrocenylenecuprates and Their Oxidative Coupling Reactions
Authors of publication	Bomparola, Roberta; Davies, Robert P.; Gray, Tracey; White, Andrew J. P.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	16
Pages of publication	4632
a	10.61891 ± 0.00008 Å
b	10.61891 ± 0.00008 Å
c	38.1686 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4303.94 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0712
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.54248 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178587 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/98.	4069880.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069880.cif
40492	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069879, 4069880 via cif-deposit CGI script.	4069880.cif