Crystallography Open Database

Information card for entry 7015598

Preview

Coordinates	7015598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H48 Cl3 Fe N10 O13
Calculated formula	C41 H48 Cl3 Fe N10 O13
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	12.203 ± 0.004 Å
b	13.723 ± 0.005 Å
c	19.511 ± 0.006 Å
α	95.8751 ± 0.0019°
β	102.746 ± 0.003°
γ	114.876 ± 0.004°
Cell volume	2820 ± 1.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0712
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1769
Weighted residual factors for all reflections included in the refinement	0.1835
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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.	7015598.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015598.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015598.cif
21200	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015594, 7015595, 7015596, 7015597, 7015598 via cif-deposit CGI script.	7015598.cif