Crystallography Open Database

Information card for entry 4313246

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Structure parameters

Common name	[Fe(N-MeIm)6](ClO4)3
Formula	C24 H36 Cl3 Fe N12 O12
Calculated formula	C24 H36 Cl3 Fe N12 O12
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	19.511 ± 0.003 Å
b	19.511 ± 0.003 Å
c	15.354 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	5061.9 ± 1.5 Å³
Cell temperature	92 ± 2 K
Ambient diffraction temperature	92 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0692
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for all reflections included in the refinement	0.961
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
301837 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure.	4313246.cif
179188	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.	4313246.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313246.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313246.cif
6315	2011-01-11	../uploads/cif-deposit/cod/cif Adding structures of 4313246 via cif-deposit CGI script.	4313246.cif