Crystallography Open Database

Information card for entry 4313248

Preview

Coordinates	4313248.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Fe2(O)(O2CH)(N-MeIm)8](ClO4)3.THF
Formula	C37 H57 Cl3 Fe2 N16 O16
Calculated formula	C37 H57 Cl3 Fe2 N16 O15.92
Title of publication	Reaction of (μ-Oxo)diiron(III) Core with CO2 in N-Methylimidazole: Formation of Mono(μ-carboxylato)(μ-oxo)diiron(III) Complexes with N-Methylimidazole as Ligands
Authors of publication	Dana S. Marlin; Marilyn M. Olmstead; Pradip K. Mascharak
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	1681 - 1687
a	27.106 ± 0.004 Å
b	10.186 ± 0.001 Å
c	20.362 ± 0.003 Å
α	90°
β	96.247 ± 0.007°
γ	90°
Cell volume	5588.6 ± 1.3 Å³
Cell temperature	92 ± 2 K
Ambient diffraction temperature	92 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1224
Residual factor for significantly intense reflections	0.0804
Weighted residual factors for significantly intense reflections	0.221
Weighted residual factors for all reflections included in the refinement	0.2557
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
179188 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/32.	4313248.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313248.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313248.cif
6317	2011-01-11	../uploads/cif-deposit/cod/cif Adding structures of 4313248 via cif-deposit CGI script.	4313248.cif