Crystallography Open Database

Information card for entry 4322239

Preview

Coordinates	4322239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H50.5 F12 Fe2 N3.5 O16
Calculated formula	C44.98 H40 F12 Fe2 N3.49 O16
Title of publication	Structural and Spectroscopic Comparisons between (μ-Oxo)- and (μ-Hydroxo)bis(μ-carboxylato)diiron(III) Complexes That Contain All-Oxygen-Donor Ligands
Authors of publication	Tadashi J. Mizoguchi; Roman M. Davydov; Stephen J. Lippard
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	4098 - 4103
a	13.9442 ± 0.0003 Å
b	15.2151 ± 0.0004 Å
c	15.7164 ± 0.0003 Å
α	109.032 ± 0.001°
β	97.975 ± 0.001°
γ	115.697 ± 0.001°
Cell volume	2682.42 ± 0.11 Å³
Cell temperature	188 ± 2 K
Ambient diffraction temperature	188 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1312
Weighted residual factors for all reflections included in the refinement	0.1372
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4322239.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322239.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322239.cif
20507	2011-06-10	../uploads/cif-deposit/cod/cif Adding structures of 4322239 via cif-deposit CGI script.	4322239.cif