Crystallography Open Database

Information card for entry 7007950

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Coordinates	7007950.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H32 Cl2 Fe N6 O8
Calculated formula	C29 H32 Cl2 Fe N6 O8
Title of publication	Mechanism of formation of iron(II) complexes with pentadentate ligands via C-C bond formation between trans-[Fe(2,4-bis(2-pyridylmethylimino)pentane)(MeCN)2]ClO4]2.MeCN and various nitriles.
Authors of publication	Kurosaki, Hiromasa; Ishikawa, Yoshinobu; Ishihara, Takao; Yamamoto, Teruo; Yamaguchi, Yoshihiro; Goto, Masafumi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2005
Journal issue	6
Pages of publication	1086 - 1092
a	11.597 ± 0.002 Å
b	14.866 ± 0.004 Å
c	9.855 ± 0.002 Å
α	99.28 ± 0.02°
β	110.98 ± 0.01°
γ	84.53 ± 0.02°
Cell volume	1564.3 ± 0.6 Å³
Cell 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 significantly intense reflections	0.0529
Weighted residual factors for all reflections included in the refinement	0.0392
Goodness-of-fit parameter for all reflections included in the refinement	1.865
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	7007950.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007950.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007950.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007950.cif