Crystallography Open Database

Information card for entry 4327429

Preview

Coordinates	4327429.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Fe(OEPOH)(py)2].2py.0.33H2O
Formula	C56 H62.67 Fe N8 O1.33
Calculated formula	C56 H62 Fe N8 O1.33
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	13.2142 ± 0.0016 Å
b	15.1619 ± 0.0018 Å
c	15.3635 ± 0.0019 Å
α	106.478 ± 0.002°
β	99.01 ± 0.002°
γ	110.242 ± 0.002°
Cell volume	2656.1 ± 0.6 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.1499
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.2057
Weighted residual factors for all reflections included in the refinement	0.2347
Goodness-of-fit parameter for all reflections included in the refinement	0.95
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.	4327429.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327429.cif
61200	2012-06-25	cif/ Adding structures of 4327429 via cif-deposit CGI script.	4327429.cif