Crystallography Open Database

Information card for entry 7024034

Preview

Coordinates	7024034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 Fe N2 O6.5
Calculated formula	C34 H32 Fe N2 O6.5
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	17.3993 ± 0.0011 Å
b	10.9524 ± 0.0007 Å
c	32.741 ± 0.002 Å
α	90°
β	97.6 ± 0.004°
γ	90°
Cell volume	6184.5 ± 0.7 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1104
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1426
Weighted residual factors for all reflections included in the refinement	0.1702
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7024034.cif
92037	2014-01-12	cif/ Adding structures of 7024027, 7024028, 7024029, 7024030, 7024031, 7024032, 7024033, 7024034, 7024035, 7024036 via cif-deposit CGI script.	7024034.cif