Crystallography Open Database

Information card for entry 1572397

Preview

Coordinates	1572397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H24 Au O P
Calculated formula	C25 H24 Au O P
Title of publication	Structure-property relationship of a complex photoluminescent arylacetylide-gold(I) compound. I: a pressure-induced phase transformation caught in the act.
Authors of publication	Jastrzębska, Róża; Poręba, Tomasz; Cova, Federico; Tchoń, Daniel M; Makal, Anna
Journal of publication	IUCrJ
Year of publication	2024
Journal volume	11
Journal issue	5
a	16.13 ± 0.04 Å
b	6.7304 ± 0.0009 Å
c	18.096 ± 0.003 Å
α	90°
β	97.93 ± 0.08°
γ	90°
Cell volume	1946 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Ambient diffracton pressure	800000 kPa
Sample pressure history	Pressurized to 0.8 GPa and left to stabilize over 0.5 hours.
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.4117
Residual factor for significantly intense reflections	0.1721
Weighted residual factors for significantly intense reflections	0.3743
Weighted residual factors for all reflections included in the refinement	0.4834
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.41004 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
294215 (current)	2024-08-24	cif/ Adding structures of 1572395, 1572396, 1572397, 1572398 via cif-deposit CGI script.	1572397.cif