Crystallography Open Database

Information card for entry 2023098

2023097 << 2023098 >> 2023099

Preview

Coordinates	2023098.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tris(<i>tert</i>-butyl)(chlorosulfanyl)phosphonium tetrachloridoaurate(III)
Formula	C12 H27 Au Cl5 P S
Calculated formula	C12 H27 Au Cl5 P S
Title of publication	Crystal structures of fourteen halochalcogenylphosphonium tetrahalogenidoaurates(III)
Authors of publication	Upmann, Daniel; Bockfeld, Dirk; Jones, Peter G.; Târcoveanu, Eliza
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	5
a	9.7661 ± 0.0003 Å
b	12.5787 ± 0.0003 Å
c	16.9776 ± 0.0005 Å
α	90°
β	103.887 ± 0.003°
γ	90°
Cell volume	2024.65 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0731
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0421
Weighted residual factors for all reflections included in the refinement	0.0449
Goodness-of-fit parameter for all reflections included in the refinement	0.767
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
291382 (current)	2024-04-27	cif/ Adding structures of 2023095, 2023096, 2023097, 2023098, 2023099, 2023100, 2023101, 2023102, 2023103, 2023104, 2023105, 2023106, 2023107, 2023108 via cif-deposit CGI script.	2023098.cif