Crystallography Open Database

Information card for entry 4328392

Preview

Coordinates	4328392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H165 Cl6 Fe4 N21 O43
Calculated formula	C126 H165 Cl6 Fe4 N21 O43
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	13.6723 ± 0.0012 Å
b	22.64 ± 0.002 Å
c	24.509 ± 0.002 Å
α	99.896 ± 0.001°
β	98.875 ± 0.002°
γ	102.936 ± 0.001°
Cell volume	7135.7 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0967
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1747
Weighted residual factors for all reflections included in the refinement	0.1937
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	4328392.cif
77358	2013-03-26	cif/ Adding structures of 4328392 via cif-deposit CGI script.	4328392.cif