Crystallography Open Database

Information card for entry 1572396

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Coordinates	1572396.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	15.906 ± 0.007 Å
b	13.677 ± 0.002 Å
c	9.7733 ± 0.0014 Å
α	109.591 ± 0.015°
β	98.2 ± 0.02°
γ	86.14 ± 0.03°
Cell volume	1982.2 ± 1 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 measured without additional time for stabilization.
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.3242
Residual factor for significantly intense reflections	0.1229
Weighted residual factors for significantly intense reflections	0.2712
Weighted residual factors for all reflections included in the refinement	0.3677
Goodness-of-fit parameter for all reflections included in the refinement	0.914
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.41004 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
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.	1572396.cif