Crystallography Open Database

Information card for entry 4310589

Preview

Coordinates	4310589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 Cl2 F3 Fe N4
Calculated formula	C18 H15 Cl2 F3 Fe N4
SMILES	[Fe]12(Cl)(Cl)[N](Cc3[n]1c(F)ccc3)(Cc1nc(F)ccc1)Cc1[n]2c(F)ccc1
Title of publication	Easy Preparation of the Tris(2-fluoro-6-pyridylmethyl)amine Ligand and Instantaneous Reaction of the Corresponding Dichloroferrous Complex with Molecular Dioxygen: New Access to Dinuclear Species
Authors of publication	Ahmed Machkour; Dominique Mandon; Mohamed Lachkar; Richard Welter
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	1545 - 1550
a	8.794 ± 0.001 Å
b	12.811 ± 0.001 Å
c	17.291 ± 0.001 Å
α	90 ± 0.001°
β	94.966 ± 0.001°
γ	90 ± 0.001°
Cell volume	1940.7 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.117
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1336
Goodness-of-fit parameter for all reflections included in the refinement	0.879
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179144 (current)	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 4/31/05.	4310589.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310589.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310589.cif
2077	2010-11-08	../uploads/cif-deposit/cod/cif Adding structures of 4310589 via cif-deposit CGI script.	4310589.cif