Crystallography Open Database

Information card for entry 4508608

Preview

Coordinates	4508608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14.5 H20 Au Cl3 N3 O3.5 S
Calculated formula	C14.5 H20 Au Cl3 N3 O3.5 S
Title of publication	Water-Soluble Gold(I) and Gold(III) Complexes with SulfonatedN-Heterocyclic Carbene Ligands: Synthesis, Characterization, and Application in the Catalytic Cycloisomerization of γ-Alkynoic Acids into Enol-Lactones
Authors of publication	Tomás-Mendivil, Eder; Toullec, Patrick Y.; Borge, Javier; Conejero, Salvador; Michelet, Véronique; Cadierno, Victorio
Journal of publication	ACS Catalysis
Year of publication	2013
Journal volume	3
Journal issue	12
Pages of publication	3086
a	24.0394 ± 0.0005 Å
b	8.8925 ± 0.0001 Å
c	21.0847 ± 0.0004 Å
α	90°
β	116.022 ± 0.002°
γ	90°
Cell volume	4050.36 ± 0.14 Å³
Cell temperature	123 ± 0.1 K
Ambient diffraction temperature	123 ± 0.1 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.061
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1663
Weighted residual factors for all reflections included in the refinement	0.1712
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	4508608.cif
91670	2013-12-13	cif/ Adding structures of 4508606, 4508607, 4508608, 4508609 via cif-deposit CGI script.	4508608.cif