Crystallography Open Database

Information card for entry 4077179

Preview

Coordinates	4077179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H32 Fe2 Li2 O12
Calculated formula	C24 H32 Fe2 Li2 O12
Title of publication	Reaction of Fe2(CO)9with Lithium: Preparation and Structures of Compounds with Strong Ion Pairing
Authors of publication	Neumüller, Bernhard; Petz, Wolfgang
Journal of publication	Organometallics
Year of publication	2001
Journal volume	20
Journal issue	1
Pages of publication	163
a	11 ± 0.001 Å
b	30.312 ± 0.003 Å
c	9.833 ± 0.001 Å
α	90°
β	114.82 ± 0.01°
γ	90°
Cell volume	2975.8 ± 0.6 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0935
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.149
Weighted residual factors for all reflections included in the refinement	0.1707
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178660 (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 4/07/71.	4077179.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077179.cif
54245	2012-04-24	cif/ Adding structures of 4077179, 4077180 via cif-deposit CGI script.	4077179.cif