Crystallography Open Database

Information card for entry 1565461

Preview

Coordinates	1565461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 Au N4 O2 S
Calculated formula	C20 H19 Au N4 O2 S
SMILES	[Au]12(SC(=N\c3ccc(cc3)N(=O)=O)/c3n1ccc3)[N](Cc1c2cccc1)(C)C
Title of publication	Pyrrole thioamide complexes of the d8 metals platinum(II), palladium(II) and gold(III)
Authors of publication	Tang, Haiming; Saunders, Graham C.; Ma, Xiaochuan; Henderson, William
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	502
Pages of publication	119282
a	15.0999 ± 0.0002 Å
b	8.23711 ± 0.00015 Å
c	15.1811 ± 0.0002 Å
α	90°
β	92.8016 ± 0.0014°
γ	90°
Cell volume	1885.96 ± 0.05 Å³
Cell temperature	99.95 ± 0.13 K
Ambient diffraction temperature	99.95 ± 0.13 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	0.0323
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0739
Goodness-of-fit parameter for all reflections included in the refinement	1.0682
Diffraction radiation probe	x-ray
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
270942 (current)	2021-11-30	cif/ Adding structures of 1565459, 1565460, 1565461 via cif-deposit CGI script.	1565461.cif