Crystallography Open Database

Information card for entry 4350349

Preview

Coordinates	4350349.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(py)2Fe(OEPO)
Formula	C46 H53 Fe N6 O
Calculated formula	C46 H53 Fe N6 O
Title of publication	Electron distribution in iron octaethyloxophlorin complexes. Importance of the Fe(III) oxophlorin trianion form in the bis-pyridine and bis-imidazole complexes.
Authors of publication	Rath, Sankar Prasad; Olmstead, Marilyn M.; Balch, Alan L.
Journal of publication	Inorganic chemistry
Year of publication	2006
Journal volume	45
Journal issue	15
Pages of publication	6083 - 6093
a	9.7928 ± 0.0006 Å
b	10.178 ± 0.0006 Å
c	10.4503 ± 0.0007 Å
α	80.465 ± 0.001°
β	89.975 ± 0.001°
γ	66.317 ± 0.001°
Cell volume	938.17 ± 0.1 Å³
Cell temperature	10 ± 2 K
Ambient diffraction temperature	10 ± 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	0.0467
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0901
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
239852 (current)	2019-11-25	cif/ Adding structures of 4350349 via cif-deposit CGI script.	4350349.cif