Crystallography Open Database

Information card for entry 4515744

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Coordinates	4515744.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N-(2,6-diisopropyl-phenyl)-2-dicyclohexyl- phosphinyl-pyridinium hexafluoroantimonate
Formula	C29 H43 F6 N P Sb
Calculated formula	C29 H43 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	16.4612 ± 0.0008 Å
b	13.7221 ± 0.0007 Å
c	26.85 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	6064.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	Cu-Kα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225869 (current)	2019-11-10	cif/ Adding structures of 4515744 via cif-deposit CGI script.	4515744.cif