Crystallography Open Database

Information card for entry 4115220

Preview

Coordinates	4115220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H38 Cl2 Cu2 N4 O8 S2
Calculated formula	C32 H38 Cl2 Cu2 N4 O8 S2
SMILES	[Cu]123[S](CC[N]2(Cc2cccc(c2)C)Cc2[n]1cccc2)[Cu]12[S]3CC[N]2(Cc2cccc(c2)C)Cc2[n]1cccc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Interconversion between Bis(μ-thiolato)dicopper(II) and Disulfide-Bridged Dicopper(I) Complexes Mediated by Chloride Ion
Authors of publication	Yoshiki Ueno; Yoshimitsu Tachi; Shinobu Itoh
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	12428 - 12429
a	31.929 ± 0.001 Å
b	17.606 ± 0.0005 Å
c	13.816 ± 0.0003 Å
α	90°
β	111.289 ± 0.001°
γ	90°
Cell volume	7236.6 ± 0.3 Å³
Cell temperature	158.1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.059
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4115220.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115220.cif
68663	2012-11-14	cif/ Adding structures of 4115220 via cif-deposit CGI script.	4115220.cif