Crystallography Open Database

Information card for entry 4338996

Preview

Coordinates	4338996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H24 Cl3 Cu N4 S2
Calculated formula	C15 H24 Cl3 Cu N4 S2
SMILES	[Cu]1(Cl)[n]2c(SSc3[n]1ccn3C(C)(C)C)n(cc2)C(C)(C)C.C(Cl)Cl
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	9.625 ± 0.0017 Å
b	9.6646 ± 0.0018 Å
c	11.838 ± 0.002 Å
α	100.645 ± 0.003°
β	100.726 ± 0.003°
γ	91.95 ± 0.003°
Cell volume	1060.7 ± 0.3 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 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	0.0392
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.1476
Weighted residual factors for all reflections included in the refinement	0.1561
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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.	4338996.cif
117054	2014-06-14	cif/ Adding structures of 4338996 via cif-deposit CGI script.	4338996.cif