Crystallography Open Database

Information card for entry 4116115

Preview

Coordinates	4116115.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20.5 H14.5 Fe N3.5 O6
Calculated formula	C20.5 H14.5 Fe N3.5 O6
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	13.7241 ± 0.0003 Å
b	13.7241 ± 0.0003 Å
c	18.2281 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	2973.31 ± 0.1 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	172
Hermann-Mauguin space group symbol	P 64
Hall space group symbol	P 64
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4116115.html