Crystallography Open Database

Information card for entry 4069879

Preview

Coordinates	4069879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H112 Cu4 Fe6 Li8 O8
Calculated formula	C92 H112 Cu4 Fe6 Li8 O8
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	13.4027 ± 0.0003 Å
b	14.2369 ± 0.0003 Å
c	22.4545 ± 0.0005 Å
α	91.9896 ± 0.0016°
β	93.4126 ± 0.0017°
γ	99.5991 ± 0.0017°
Cell volume	4212.79 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1037
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0812
Weighted residual factors for all reflections included in the refinement	0.0889
Goodness-of-fit parameter for all reflections included in the refinement	0.764
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
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.	4069879.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069879.cif
40492	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069879, 4069880 via cif-deposit CGI script.	4069879.cif