Crystallography Open Database

Information card for entry 7015594

Preview

Coordinates	7015594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.5 H43.5 Cl2 Fe N10.5 O8.5
Calculated formula	C39.5 H43.5 Cl2 Fe N10.5 O8.5
Title of publication	Syntheses, structures and properties of a series of non-heme alkoxide-Fe(III) complexes of a benzimidazolyl-rich ligand as models for lipoxygenase.
Authors of publication	Wu, Guiling; Mei, Fusheng; Gao, Qian; Han, Fang; Lan, Shemin; Zhang, Jianming; Li, Dongfeng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	24
Pages of publication	6433 - 6439
a	15.3381 ± 0.0007 Å
b	15.3811 ± 0.0007 Å
c	20.1461 ± 0.0009 Å
α	73.264 ± 0.001°
β	69.925 ± 0.001°
γ	83.937 ± 0.001°
Cell volume	4274.8 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1581
Residual factor for significantly intense reflections	0.0995
Weighted residual factors for significantly intense reflections	0.2159
Weighted residual factors for all reflections included in the refinement	0.2493
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
179859 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/55.	7015594.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015594.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015594.cif
21200	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015594, 7015595, 7015596, 7015597, 7015598 via cif-deposit CGI script.	7015594.cif