Crystallography Open Database

Information card for entry 7023436

Preview

Coordinates	7023436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 Au Cl10 S4 Tl
Calculated formula	C20 H16 Au Cl10 S4 Tl
Title of publication	Heterometallic gold(I)-thallium(I) compounds with crown thioethers.
Authors of publication	Blake, Alexander J.; Donamaría, Rocío; Fernández, Eduardo J; Lasanta, Tania; Lippolis, Vito; López-de-Luzuriaga, José M; Manso, Elena; Monge, Miguel; Olmos, M. Elena
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	32
Pages of publication	11559 - 11570
a	10.6829 ± 0.0011 Å
b	11.9086 ± 0.001 Å
c	14.4564 ± 0.0012 Å
α	66.786 ± 0.008°
β	78.615 ± 0.008°
γ	66.326 ± 0.009°
Cell volume	1546.3 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0676
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.136
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179939 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/34.	7023436.cif
90533	2013-11-18	cif/ Adding structures of 7023436, 7023437, 7023438 via cif-deposit CGI script.	7023436.cif