Crystallography Open Database

Information card for entry 4072884

Preview

Coordinates	4072884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H46 B Fe2 Li O
Calculated formula	C40 H46 B Fe2 Li O
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	16.0743 ± 0.0011 Å
b	19.1 ± 0.0009 Å
c	21.9454 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	6737.7 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1344
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1281
Goodness-of-fit parameter for all reflections included in the refinement	0.927
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.	4072884.cif
132087	2015-02-19	cif/ (antanas@koala.ibt.lt) Replacing '_chemical_name_systematic' tag values consisting ';' with '?'.	4072884.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072884.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072884.cif
46053	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4072884 via cif-deposit CGI script.	4072884.cif