Crystallography Open Database

Information card for entry 4338998

Preview

Coordinates	4338998.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(SIm)2FeCl2
Formula	C23 H31 Cl2 Fe N4 S2
Calculated formula	C23 H31 Cl2 Fe N4 S2
Title of publication	Applications of bis(1-R-imidazol-2-yl)disulfides and diselenides as ligands for main-group and transition metals: kappa2-(N,N) coordination, S-S bond cleavage, and S-S/E-E (E = S, Se) bond metathesis reactions.
Authors of publication	Figueroa, Joshua S.; Yurkerwich, Kevin; Melnick, Jonathan; Buccella, Daniela; Parkin, Gerard
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	22
Pages of publication	9234 - 9244
a	12.415 ± 0.005 Å
b	20.52 ± 0.008 Å
c	10.938 ± 0.005 Å
α	90°
β	94.253 ± 0.007°
γ	90°
Cell volume	2779 ± 2 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	6
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	0.131
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.139
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
179492 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/89.	4338998.cif
117056	2014-06-14	cif/ Adding structures of 4338998 via cif-deposit CGI script.	4338998.cif