Crystallography Open Database

Information card for entry 4072886

Preview

Coordinates	4072886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H74 B2 Fe Li2 O2
Calculated formula	C62 H74 B2 Fe Li2 O2
Title of publication	Experimental Assessment of the Relative Affinities of Benzene and Ferrocene toward the Li+Cation
Authors of publication	Kaufmann, Linda; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	7
Pages of publication	1771
a	15.6422 ± 0.0013 Å
b	18.8747 ± 0.0014 Å
c	20.159 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5951.8 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.246
Residual factor for significantly intense reflections	0.1477
Weighted residual factors for significantly intense reflections	0.3479
Weighted residual factors for all reflections included in the refinement	0.4106
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
178617 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/28.	4072886.cif
132087	2015-02-19	cif/ (antanas@koala.ibt.lt) Replacing '_chemical_name_systematic' tag values consisting ';' with '?'.	4072886.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072886.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072886.cif
46055	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4072886 via cif-deposit CGI script.	4072886.cif