Crystallography Open Database

Information card for entry 7714183

Preview

Coordinates	7714183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H13 Au N2 Te
Calculated formula	C15 H13 Au N2 Te
SMILES	[Te+](c1ccccc1)(c1ccccc1)C.[Au](C#N)C#N
Title of publication	Synthesis, X-ray Characterization and DFT analysis of Dicyanidoaurate Telluronium salts: on the importance of charge assisted chalcogen bonds
Authors of publication	Ghinato, Simone; Giordana, Alessia; Diana, Eliano; Gomila, Rosa Maria; Priola, Emanuele; Frontera, Antonio
Journal of publication	Dalton Transactions
Year of publication	2023
a	9.249 ± 0.0002 Å
b	13.2961 ± 0.0002 Å
c	13.4912 ± 0.0003 Å
α	90°
β	108.514 ± 0.002°
γ	90°
Cell volume	1573.22 ± 0.06 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
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	0.0425
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
286937 (current)	2023-10-13	cif/ Adding structures of 7714183, 7714184 via cif-deposit CGI script.	7714183.cif