Crystallography Open Database

Information card for entry 7039491

Preview

Coordinates	7039491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H40 Cl2 Fe2 N6 O13
Calculated formula	C24 H40 Cl2 Fe2 N6 O13
Title of publication	Non-heme μ-Oxo- and bis(μ-carboxylato)-bridged diiron(iii) complexes of a 3N ligand as catalysts for alkane hydroxylation: stereoelectronic factors of carboxylate bridges determine the catalytic efficiency.
Authors of publication	Balamurugan, Mani; Suresh, Eringathodi; Palaniandavar, Mallayan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	28
Pages of publication	11422 - 11436
a	25.674 ± 0.01 Å
b	7.876 ± 0.003 Å
c	20.102 ± 0.008 Å
α	90°
β	123.068 ± 0.01°
γ	90°
Cell volume	3406 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0655
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1223
Weighted residual factors for all reflections included in the refinement	0.1414
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185505 (current)	2016-08-07	cif/ Updating files of 7039491, 7039492, 7039493 Original log message: Adding full bibliography for 7039491--7039493.cif.	7039491.cif
183393	2016-06-11	cif/ Adding structures of 7039491, 7039492, 7039493 via cif-deposit CGI script.	7039491.cif