Crystallography Open Database

Information card for entry 4339327

Preview

Coordinates	4339327.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Fe3(O2Cbiph)6(MeCN)4]CH2Cl2
Formula	C87 H68 Cl2 Fe3 N4 O12
Calculated formula	C87 H68 Cl2 Fe3 N4 O12
Title of publication	A planar carboxylate-rich tetraironII complex and its conversion to linear triironII and paddlewheel diironII complexes.
Authors of publication	Reisner, Erwin; Telser, Joshua; Lippard, Stephen J.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	25
Pages of publication	10754 - 10770
a	13.496 ± 0.002 Å
b	13.766 ± 0.003 Å
c	23.334 ± 0.004 Å
α	92.783 ± 0.003°
β	102.073 ± 0.003°
γ	117.536 ± 0.003°
Cell volume	3705.9 ± 1.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0953
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1246
Goodness-of-fit parameter for all reflections included in the refinement	1.099
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
179496 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/93.	4339327.cif
117270	2014-06-14	cif/ Adding structures of 4339320, 4339321, 4339322, 4339323, 4339324, 4339325, 4339326, 4339327, 4339328, 4339329, 4339330, 4339331, 4339332 via cif-deposit CGI script.	4339327.cif