Crystallography Open Database

Information card for entry 7024029

Preview

Coordinates	7024029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 Cl Fe N2 O2
Calculated formula	C30 H28 Cl Fe N2 O2
SMILES	c12C=[N]([C@@H](c3ccccc3)C)[Fe]3(Oc1cccc2)(Cl)[N](=Cc1c(cccc1)O3)[C@H](C)c1ccccc1
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	10.7396 ± 0.0003 Å
b	10.7396 ± 0.0003 Å
c	23.2848 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	2685.65 ± 0.13 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	7024029.cif
92037	2014-01-12	cif/ Adding structures of 7024027, 7024028, 7024029, 7024030, 7024031, 7024032, 7024033, 7024034, 7024035, 7024036 via cif-deposit CGI script.	7024029.cif