Crystallography Open Database

Information card for entry 4328390

Preview

Coordinates	4328390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H168 Cl6 Fe4 N24 O40
Calculated formula	C124 H168 Cl6 Fe4 N24 O40
Title of publication	Evaluating the Identity and Diiron Core Transformations of a (μ-Oxo)diiron(III) Complex Supported by Electron-Rich Tris(pyridyl-2-methyl)amine Ligands
Authors of publication	Loi H. Do; Genqiang Xue; Lawrence Que; Stephen J. Lippard
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	2393 - 2402
a	28.2258 ± 0.0019 Å
b	11.7652 ± 0.0008 Å
c	22.4938 ± 0.0015 Å
α	90°
β	106.685 ± 0.001°
γ	90°
Cell volume	7155.3 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0722
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.1759
Weighted residual factors for all reflections included in the refinement	0.1815
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
179386 (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 4/32/83.	4328390.cif
77356	2013-03-26	cif/ Adding structures of 4328390 via cif-deposit CGI script.	4328390.cif