Crystallography Open Database

Information card for entry 4514304

Preview

Coordinates	4514304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H6 Au Cl F9 O3 P
Calculated formula	C6 H6 Au Cl F9 O3 P
SMILES	[Au](Cl)[P](OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F
Title of publication	Halide Effects on the Sublimation Temperature of X-Au-L Complexes: Implications for Their Use as Precursors in Vapor Phase Deposition Methods.
Authors of publication	Carden, Will G.; Pedziwiatr, Jakub; Abboud, Khalil A.; McElwee-White, Lisa
Journal of publication	ACS applied materials & interfaces
Year of publication	2017
Journal volume	9
Journal issue	46
Pages of publication	40998 - 41005
a	11.1897 ± 0.0009 Å
b	13.3772 ± 0.0012 Å
c	18.9706 ± 0.0016 Å
α	86.4062 ± 0.0013°
β	89.5645 ± 0.0013°
γ	84.3179 ± 0.0014°
Cell volume	2820.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0332
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0746
Weighted residual factors for all reflections included in the refinement	0.0769
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
254835 (current)	2020-08-05	cif/4 Fixing Z values and formulae	4514304.cif
203917	2017-12-04	cif/ Adding structures of 4514304 via cif-deposit CGI script.	4514304.cif