Crystallography Open Database

Information card for entry 4313250

Preview

Coordinates	4313250.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Fe2(O)(CH3COO)(N-MeIm)8](ClO4)3.2.5THF
Formula	C44 H71 Cl3 Fe2 N16 O17.5
Calculated formula	C44 H59 Cl3 Fe2 N16 O17.5
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	12.363 ± 0.003 Å
b	14.151 ± 0.004 Å
c	19.276 ± 0.004 Å
α	103.499 ± 0.018°
β	99.757 ± 0.018°
γ	109.673 ± 0.018°
Cell volume	2972.3 ± 1.4 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.1099
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for significantly intense reflections	0.1771
Weighted residual factors for all reflections included in the refinement	0.2044
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4313250.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313250.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313250.cif
6319	2011-01-11	../uploads/cif-deposit/cod/cif Adding structures of 4313250 via cif-deposit CGI script.	4313250.cif