Crystallography Open Database

Information card for entry 4515745

Preview

Coordinates	4515745.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-(2,4,6-trimethyl-phenyl)-2-di-(3,5-ditrifluoromethylphenyl)- phosphinyl-pyridinium hexafluoroantimonate
Formula	C30 H21 F18 N P Sb
Calculated formula	C30 H21 F18 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	27.034 ± 0.004 Å
b	8.1387 ± 0.0011 Å
c	29.826 ± 0.004 Å
α	90°
β	95.017 ± 0.002°
γ	90°
Cell volume	6537.2 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0643
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.1176
Goodness-of-fit parameter for all reflections included in the refinement	1.252
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
225870 (current)	2019-11-10	cif/ Adding structures of 4515745 via cif-deposit CGI script.	4515745.cif