Crystallography Open Database

Information card for entry 4515747

Preview

Coordinates	4515747.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-(2,4,6-trimethyl-phenyl)-2-diphenylphosphinyl-pyridinium hexafluoroantimonate dichloromethane
Formula	C27 H27 Cl2 F6 N P Sb
Calculated formula	C27 H27 Cl2 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	8.4844 ± 0.0011 Å
b	13.1717 ± 0.0017 Å
c	13.5679 ± 0.0017 Å
α	92.667 ± 0.002°
β	105.963 ± 0.002°
γ	100.874 ± 0.002°
Cell volume	1423.8 ± 0.3 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	0.0636
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1467
Weighted residual factors for all reflections included in the refinement	0.1546
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225872 (current)	2019-11-10	cif/ Adding structures of 4515747 via cif-deposit CGI script.	4515747.cif