Crystallography Open Database

Information card for entry 4310286

Preview

Coordinates	4310286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H32 Cl2 Fe N10 O8
Calculated formula	C24 H32 Cl2 Fe N10 O8
Title of publication	Cooperative Spin Crossover and Order-Disorder Phenomena in a Mononuclear Compound [Fe(DAPP)(abpt)](ClO4)2 [DAPP = [Bis(3-aminopropyl)(2-pyridylmethyl)amine], abpt = 4-Amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole]
Authors of publication	Galina S. Matouzenko; Azzedine Bousseksou; Serguei A. Borshch; Monique Perrin; Samir Zein; Lionel Salmon; Gabor Molnar; Sylvain Lecocq
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	227 - 236
a	9.4249 ± 0.0002 Å
b	26.5258 ± 0.0009 Å
c	12.4093 ± 0.0004 Å
α	90°
β	97.787 ± 0.002°
γ	90°
Cell volume	3073.75 ± 0.16 Å³
Cell temperature	293 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1473
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1824
Weighted residual factors for all reflections included in the refinement	0.205
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	No
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.	4310286.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310286.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310286.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4310286.cif
1774	2010-11-06	../uploads/cif-deposit/cod/cif Adding structures of 4310286 via cif-deposit CGI script.	4310286.cif