Crystallography Open Database

Information card for entry 4327430

Preview

Coordinates	4327430.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Fe(OEPOH)(CO)(N2H4)].py
Formula	C42 H53 Fe N7 O2
Calculated formula	C42 H53 Fe N7 O2
Title of publication	Reactions of meso-Hydroxyhemes with Carbon Monoxide and Reducing Agents in Search of the Elusive Species Responsible for the g= 2.006 Resonance of Carbon Monoxide-Treated Heme Oxygenase. Isolation of Diamagnetic Iron(II) Complexes of Octaethyl-meso-hydroxyporphyrin
Authors of publication	Sankar Prasad Rath; Marilyn M. Olmstead; Alan L. Balch
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6357 - 6365
a	10.6806 ± 0.0015 Å
b	13.4729 ± 0.0019 Å
c	13.869 ± 0.002 Å
α	78.066 ± 0.003°
β	76.444 ± 0.003°
γ	86.994 ± 0.003°
Cell volume	1898.2 ± 0.5 Å³
Cell temperature	91 ± 2 K
Ambient diffraction temperature	91 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1137
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1863
Weighted residual factors for all reflections included in the refinement	0.2014
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
179377 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/74.	4327430.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327430.cif
61201	2012-06-25	cif/ Adding structures of 4327430 via cif-deposit CGI script.	4327430.cif