Crystallography Open Database

Information card for entry 4515746

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Coordinates	4515746.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-(2,4,6-trimethyl-phenyl)-2-di-(3,5-ditrifluoromethylphenyl)- phosphinylchlorogold(i)-pyridinium hexafluoroantimonate acetonitrile
Formula	C32 H24 Au Cl F18 N2 P Sb
Calculated formula	C32 H24 Au Cl F18 N2 P Sb
Title of publication	N-Arylpyridiniophosphines: Synthesis, Structure, and Applications in Au(I) Catalysis
Authors of publication	Tinnermann, Hendrik; Nicholls, Leo D. M.; Johannsen, Tim; Wille, Christian; Golz, Christopher; Goddard, Richard; Alcarazo, Manuel
Journal of publication	ACS Catalysis
Year of publication	2018
Journal volume	8
Journal issue	11
Pages of publication	10457
a	8.7962 ± 0.0006 Å
b	27.1915 ± 0.0018 Å
c	16.076 ± 0.0014 Å
α	90°
β	103.535 ± 0.009°
γ	90°
Cell volume	3738.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0307
Residual factor for significantly intense reflections	0.0252
Weighted residual factors for significantly intense reflections	0.0601
Weighted residual factors for all reflections included in the refinement	0.0633
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225871 (current)	2019-11-10	cif/ Adding structures of 4515746 via cif-deposit CGI script.	4515746.cif