Crystallography Open Database

Information card for entry 4515754

Preview

Coordinates	4515754.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-(2,6-dimethoxy-phenyl)-2-diphenyl- phosphinyl-pyridinium hexafluoroantimonate
Formula	C25 H23 F6 N O2 P Sb
Calculated formula	C25 H23 F6 N O2 P Sb
SMILES	c1(cccc[n+]1c1c(cccc1OC)OC)P(c1ccccc1)c1ccccc1.[F-][Sb](F)(F)(F)(F)F
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	8.3643 ± 0.0009 Å
b	11.8205 ± 0.0013 Å
c	13.1583 ± 0.0014 Å
α	91.321 ± 0.002°
β	104.359 ± 0.002°
γ	99.991 ± 0.002°
Cell volume	1238.2 ± 0.2 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	0.0273
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0569
Weighted residual factors for all reflections included in the refinement	0.0591
Goodness-of-fit parameter for all reflections included in the refinement	0.96
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225879 (current)	2019-11-10	cif/ Adding structures of 4515754 via cif-deposit CGI script.	4515754.cif