Crystallography Open Database

Information card for entry 7250883

Preview

Coordinates	7250883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H14 Au N
Calculated formula	C15 H14 Au N
Title of publication	Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions
Authors of publication	Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	43
Pages of publication	7021 - 7031
a	10.1311 ± 0.0005 Å
b	11.8564 ± 0.0006 Å
c	17.3656 ± 0.0008 Å
α	100.14 ± 0.002°
β	98.615 ± 0.002°
γ	101.681 ± 0.002°
Cell volume	1973.27 ± 0.17 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
303686 (current)	2025-11-29	cif/ Updating files of 7250880, 7250881, 7250882, 7250883, 7250884, 7250885, 7250886, 7250887, 7250888, 7250889 Original log message: Adding full bibliography for 7250880--7250889.cif.	7250883.cif
302212	2025-09-23	cif/ Adding structures of 7250880, 7250881, 7250882, 7250883, 7250884, 7250885, 7250886, 7250887, 7250888, 7250889 via cif-deposit CGI script.	7250883.cif