Crystallography Open Database

Information card for entry 7011683

Preview

Coordinates	7011683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31.4 H27 Fe3 N4.24 O13
Calculated formula	C31.407 H27 Fe3 N4.2345 O13
Title of publication	Multi-temperature X-ray diffraction, Mössbauer spectroscopy and magnetic susceptibility studies of a solvated mixed-valence trinuclear iron formate, [Fe3O(HCO2)6(NC5H4CH3)3]·1.3(NC5H4CH3)
Authors of publication	Overgaard, Jacob; Rentschler, Eva; Timco, Grigore A.; Gerbeleu, Nicolae V.; Arion, Vladimir; Bousseksou, Azzedine; Tuchagues, Jean Pierre; Larsen, Finn K.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	15
Pages of publication	2981
a	24.382 ± 0.003 Å
b	27.485 ± 0.004 Å
c	12.5125 ± 0.0017 Å
α	90°
β	96.562 ± 0.004°
γ	90°
Cell volume	8330 ± 2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
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	0.1675
Residual factor for significantly intense reflections	0.0902
Weighted residual factors for significantly intense reflections	0.251
Weighted residual factors for all reflections included in the refinement	0.2839
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7011683.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011683.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011683.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011683.cif