Crystallography Open Database

Information card for entry 2023104

2023103 << 2023104 >> 2023105

Preview

Coordinates	2023104.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(Bromosulfanyl)bis(<i>tert</i>-butyl)(propan-2-yl)phosphonium tetrabromidoaurate(III)
Formula	C11 H25 Au Br5 P S
Calculated formula	C11 H25 Au Br5 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	12.4712 ± 0.0004 Å
b	10.3712 ± 0.0003 Å
c	16.2524 ± 0.0005 Å
α	90°
β	92.724 ± 0.003°
γ	90°
Cell volume	2099.73 ± 0.11 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	0.0498
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0568
Weighted residual factors for all reflections included in the refinement	0.061
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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.	2023104.cif