Crystallography Open Database

Information card for entry 7250889

Preview

Coordinates	7250889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 Au N S
Calculated formula	C13 H12 Au N S
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	11.6478 ± 0.0005 Å
b	21.7736 ± 0.0008 Å
c	25.2892 ± 0.001 Å
α	113.938 ± 0.001°
β	100.457 ± 0.002°
γ	90.668 ± 0.002°
Cell volume	5738.7 ± 0.4 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	0.0627
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1239
Weighted residual factors for all reflections included in the refinement	0.1291
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	7250889.cif