Crystallography Open Database

Information card for entry 7250888

Preview

Coordinates	7250888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H42 Au3 N3 S3
Calculated formula	C51 H42 Au3 N3 S3
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	11.0862 ± 0.0013 Å
b	14.95 ± 0.003 Å
c	15.372 ± 0.003 Å
α	64.989 ± 0.009°
β	80.55 ± 0.009°
γ	79.057 ± 0.008°
Cell volume	2256.7 ± 0.7 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	0.0684
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1473
Weighted residual factors for all reflections included in the refinement	0.1505
Goodness-of-fit parameter for all reflections included in the refinement	1.143
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.	7250888.cif