Crystallography Open Database

Information card for entry 7718697

Preview

Coordinates	7718697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.8 H36.9 Au Cl N3 S0.95
Calculated formula	C29.7959 H36.8981 Au Cl N3 S0.949
Title of publication	Au-involving chalcogen bond in 4-(2-chalcophenyl)-1,2,3-triazolylidene Au(i) complexes: synthesis, characterization, and photophysical properties
Authors of publication	Zhang, Jingli; Xu, Xingyu; Yan, Xiaoyu
Journal of publication	Dalton Transactions
Year of publication	2025
Journal volume	54
Journal issue	24
Pages of publication	9576 - 9583
a	10.139 ± 0.001 Å
b	13.1189 ± 0.0013 Å
c	13.2117 ± 0.0013 Å
α	107.881 ± 0.003°
β	102.79 ± 0.003°
γ	108.608 ± 0.003°
Cell volume	1482.3 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0777
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1145
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation probe	x-ray
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
300753 (current)	2025-07-06	cif/ Updating files of 7718697, 7718698, 7718699, 7718700, 7718701, 7718702, 7718703 Original log message: Adding full bibliography for 7718697--7718703.cif.	7718697.cif
299700	2025-05-16	cif/ Adding structures of 7718697, 7718698, 7718699, 7718700, 7718701, 7718702, 7718703 via cif-deposit CGI script.	7718697.cif