Crystallography Open Database

Information card for entry 7024030

Preview

Coordinates	7024030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H40 Fe2 N4 O5
Calculated formula	C52 H40 Fe2 N4 O5
SMILES	[Fe]12(Oc3ccccc3C=[N]1c1ccccc1)(Oc1ccccc1C=[N]2c1ccccc1)O[Fe]12(Oc3ccccc3C=[N]1c1ccccc1)Oc1ccccc1C=[N]2c1ccccc1
Title of publication	Chirality and diastereoselection in the mu-oxo diiron complexes L(2)Fe-O-FeL(2) (L = bidentate salicylaldiminato).
Authors of publication	Becker, Jan M.; Barker, James; Clarkson, Guy J.; van Gorkum, Remy; Johal, Gursharon K.; Walton, Richard I.; Scott, Peter
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	9
Pages of publication	2309 - 2326
a	22.401 ± 0.008 Å
b	10.356 ± 0.004 Å
c	18.818 ± 0.007 Å
α	90°
β	90.827 ± 0.007°
γ	90°
Cell volume	4365 ± 3 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0875
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1163
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
179945 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/40.	7024030.cif
92037	2014-01-12	cif/ Adding structures of 7024027, 7024028, 7024029, 7024030, 7024031, 7024032, 7024033, 7024034, 7024035, 7024036 via cif-deposit CGI script.	7024030.cif