Crystallography Open Database

Information card for entry 7023437

Preview

Coordinates	7023437.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	RD73 thf/hx
Formula	C36 H24 Au2 F20 S6 Tl2
Calculated formula	C36 H24 Au2 F20 S6 Tl2
SMILES	[Au](c1c(c(c(F)c(c1F)F)F)F)c1c(F)c(F)c(F)c(F)c1F.[Tl+].S1CCSCCSCC1
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	10.9933 ± 0.0003 Å
b	11.7372 ± 0.0004 Å
c	17.4726 ± 0.0006 Å
α	90°
β	92.688 ± 0.002°
γ	90°
Cell volume	2252.02 ± 0.13 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0488
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
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.	7023437.cif
90533	2013-11-18	cif/ Adding structures of 7023436, 7023437, 7023438 via cif-deposit CGI script.	7023437.cif