Crystallography Open Database

Information card for entry 4515749

Preview

Coordinates	4515749.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-(2,4,6-trimethyl-phenyl)-2-dicyclohexylphosphinyl-pyridinium hexafluoroantimonate
Formula	C26 H37 F6 N P Sb
Calculated formula	C26 H37 F6 N 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	13.8885 ± 0.0009 Å
b	13.3919 ± 0.0006 Å
c	15.6069 ± 0.0018 Å
α	90°
β	112.626 ± 0.006°
γ	90°
Cell volume	2679.4 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0458
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0948
Weighted residual factors for all reflections included in the refinement	0.1009
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
225874 (current)	2019-11-10	cif/ Adding structures of 4515749 via cif-deposit CGI script.	4515749.cif