Crystallography Open Database

Information card for entry 4339323

Preview

Coordinates	4339323.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Fe4(dimepz)2]4CH2Cl2
Formula	C118 H96 Cl8 Fe4 N4 O16
Calculated formula	C118 H96 Cl8 Fe4 N4 O16
Title of publication	A planar carboxylate-rich tetraironII complex and its conversion to linear triironII and paddlewheel diironII complexes.
Authors of publication	Reisner, Erwin; Telser, Joshua; Lippard, Stephen J.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	25
Pages of publication	10754 - 10770
a	13.2698 ± 0.0007 Å
b	13.7009 ± 0.0007 Å
c	29.8852 ± 0.0016 Å
α	93.215 ± 0.001°
β	94.749 ± 0.001°
γ	91.021 ± 0.001°
Cell volume	5404.8 ± 0.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0408
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4339323.html