Crystallography Open Database

Information card for entry 4306599

Preview

Coordinates	4306599.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Fe(OEP-CH2-CH2-OEP)]2O, 3b
Formula	C155 H188 Fe4 N16 O2
Calculated formula	C155 H188 Fe4 N16 O2
Title of publication	Remarkably Bent, Ethane-Linked, Diiron(III) μ-Oxobisporphyrin: Synthesis, Structure, Conformational Switching, and Photocatalytic Oxidation
Authors of publication	Sudip Kumar Ghosh; Ranjan Patra; Sankar Prasad Rath
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	10196 - 10198
a	16.4668 ± 0.0008 Å
b	15.3828 ± 0.0007 Å
c	26.77 ± 0.0013 Å
α	90°
β	97.397 ± 0.001°
γ	90°
Cell volume	6724.6 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0983
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1346
Weighted residual factors for all reflections included in the refinement	0.1576
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
179103 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/65.	4306599.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306599.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306599.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4306599.cif