Crystallography Open Database

Information card for entry 4341468

Preview

Coordinates	4341468.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	em50rd82 THF/Hex
Formula	C22 H20 Ag Au Cl10 S4
Calculated formula	C22 H20 Ag Au Cl10 S4
SMILES	[Ag]123([Au](c4c(c(c(c(c4Cl)Cl)Cl)Cl)Cl)c4c(c(c(c(c4Cl)Cl)Cl)Cl)Cl)[S]4CC[S]3CCC[S]2CC[S]1CCC4
Title of publication	Influence of crown thioether ligands in the structures and of perhalophenyl groups in the optical properties of complexes with argentoaurophilic interactions.
Authors of publication	Blake, Alexander J.; Donamaría, Rocío; Lippolis, Vito; López-de-Luzuriaga, José M; Manso, Elena; Monge, Miguel; Olmos, M. Elena
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	19
Pages of publication	10471 - 10484
a	8.4456 ± 0.0005 Å
b	21.8643 ± 0.0012 Å
c	17.2493 ± 0.0005 Å
α	90°
β	92.41 ± 0.003°
γ	90°
Cell volume	3182.4 ± 0.3 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0851
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation probe	x-ray
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
179517 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/14.	4341468.cif
126684	2014-11-10	cif/ Adding structures of 4341468, 4341469, 4341470, 4341471 via cif-deposit CGI script.	4341468.cif