Crystallography Open Database

Information card for entry 1513603

Preview

Coordinates	1513603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H48 Cl4 Fe2 N8 O23
Calculated formula	C36 H42 Cl4 Fe2 N8 O23
Title of publication	A dinuclear iron complex with a single oxo bridge as an efficient water-oxidizing catalyst in the presence of cerium(iv) ammonium nitrate: new findings and current controversies
Authors of publication	Najafpour, Mohammad Mahdi; Moghaddam, Atefeh Nemati; Sedigh, Davood Jafarian; Hołyńska, Małgorzata
Journal of publication	Catalysis Science & Technology
Year of publication	2014
Journal volume	4
Journal issue	1
Pages of publication	30
a	11.754 ± 0.003 Å
b	28.117 ± 0.004 Å
c	30.475 ± 0.005 Å
α	84.09 ± 0.03°
β	84.78 ± 0.03°
γ	87.29 ± 0.03°
Cell volume	9969 ± 3 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	0.1393
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0605
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	0.607
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513603.cif
105082	2014-03-11	cif/ Adding structures of 1513603 via cif-deposit CGI script.	1513603.cif