Crystallography Open Database

Information card for entry 4116116

Preview

Coordinates	4116116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 Fe2 N4 O10
Calculated formula	C26 H22 Fe2 N4 O10
Title of publication	Functional Aspects of Gif-Type Oxidation of Hydrocarbons Mediated by Iron Picolinate H2O2-Dependent Systems: Evidence for the Generation of Carbon- and Oxygen-Centered Radicals
Authors of publication	Salma Kiani; Amy Tapper; Richard J. Staples; Pericles Stavropoulos
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	7503 - 7517
a	17.904 ± 0.0006 Å
b	24.04 ± 0.001 Å
c	24.955 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	10740.9 ± 0.7 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.0993
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0483
Weighted residual factors for all reflections included in the refinement	0.0522
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
178932 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/61.	4116116.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4116116.cif
70694	2013-01-03	cif/ Adding structures of 4116116 via cif-deposit CGI script.	4116116.cif