Crystallography Open Database

Information card for entry 7250887

Preview

Coordinates	7250887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 Au N S2
Calculated formula	C17 H14 Au N S2
Title of publication	Thiophenyl and Benzothiophenyl Gold Isocyanide Complexes: Synthesis, Structures, Aurophilic and Gold-involving Chalcogen Bonding Interactions
Authors of publication	Pavlov, Kirill; Grudova, Mariya V.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilya; Gomila, Rosa Maria; Frontera, Antonio; Tskhovrebov, Alexander
Journal of publication	CrystEngComm
Year of publication	2025
a	9.081 ± 0.002 Å
b	17.316 ± 0.004 Å
c	18.171 ± 0.004 Å
α	114.577 ± 0.009°
β	98.055 ± 0.01°
γ	102.895 ± 0.01°
Cell volume	2443.9 ± 1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1048
Residual factor for significantly intense reflections	0.0906
Weighted residual factors for significantly intense reflections	0.2399
Weighted residual factors for all reflections included in the refinement	0.2486
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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
302212 (current)	2025-09-23	cif/ Adding structures of 7250880, 7250881, 7250882, 7250883, 7250884, 7250885, 7250886, 7250887, 7250888, 7250889 via cif-deposit CGI script.	7250887.cif