Crystallography Open Database

Information card for entry 7025322

Preview

Coordinates	7025322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 Fe Mn N10 O7
Calculated formula	C30 H26 Fe Mn N10 O7
SMILES	[Fe]1([n]2c(nccc2)c2[n]1cccn2)(C#[N][Mn]123([N](CC[N]1=Cc1c(O3)cc(OC)cc1)=Cc1c(O2)cc(OC)cc1)[OH2])(C#N)(C#N)C#N.O.O
Title of publication	Magnetic coupling in discrete cyano-bridged Mn(III)-Fe(III) motifs: synthesis, crystal structure, magnetic properties and theoretical study.
Authors of publication	Visinescu, Diana; Toma, Luminita Marilena; Cano, Joan; Fabelo, Oscar; Ruiz-Pérez, Catalina; Labrador, Ana; Lloret, Francesc; Julve, Miguel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	20
Pages of publication	5028 - 5038
a	11.475 ± 0.009 Å
b	13.178 ± 0.005 Å
c	13.58 ± 0.003 Å
α	107.683 ± 0.017°
β	110.92 ± 0.02°
γ	105.07 ± 0.04°
Cell volume	1663.5 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1125
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1317
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
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
179959 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/53.	7025322.cif
92938	2014-01-12	cif/ Adding structures of 7025321, 7025322 via cif-deposit CGI script.	7025322.cif