Crystallography Open Database

Information card for entry 2023270

2023269 << 2023270 >> 2023271

Preview

Coordinates	2023270.cif
Original IUCr paper	HTML

Structure parameters

Common name	Bis(tri-<i>tert</i>-butylphosphane selenide)gold(I) tetrabromidoaurate(III)
Chemical name	Bis(tri-<i>tert</i>-butylphosphane selenide-κ<i>Se</i>)gold(I) tetrabromidoaurate(III)
Formula	C24 H54 Au2 Br4 P2 Se2
Calculated formula	C24 H54 Au2 Br4 P2 Se2
Title of publication	Crystal structures of seven mixed-valence gold compounds of the form [(R 1 R 2 R 3PE)2AuI]+[AuIII X 4]− (R = tert-butyl or isopropyl, E = S or Se, and X = Cl or Br)
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	10
Pages of publication	1087 - 1096
a	8.4403 ± 0.0004 Å
b	9.2135 ± 0.0004 Å
c	12.6496 ± 0.0005 Å
α	106.172 ± 0.004°
β	101.1 ± 0.004°
γ	97.485 ± 0.004°
Cell volume	909.28 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.0344
Weighted residual factors for all reflections included in the refinement	0.0358
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
294951 (current)	2024-10-01	cif/ Adding structures of 2023264, 2023265, 2023266, 2023267, 2023268, 2023269, 2023270 via cif-deposit CGI script.	2023270.cif