Crystallography Open Database

Information card for entry 4515751

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Coordinates	4515751.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1-(2,4,6-trimethyl-phenyl)-2-diphenylphosphinylchlorogold(i)-pyridinium hexafluoroantimonate
Formula	C26 H25 Au Cl F6 N P Sb
Calculated formula	C26 H25 Au Cl F6 N P Sb
SMILES	c1(cccc[n+]1c1c(cc(cc1C)C)C)[P](c1ccccc1)(c1ccccc1)[Au]Cl.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	10.004 ± 0.0004 Å
b	10.1489 ± 0.0004 Å
c	15.7193 ± 0.0009 Å
α	107.808 ± 0.003°
β	92.182 ± 0.004°
γ	112.364 ± 0.003°
Cell volume	1383.43 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0154
Residual factor for significantly intense reflections	0.0143
Weighted residual factors for significantly intense reflections	0.0359
Weighted residual factors for all reflections included in the refinement	0.0365
Goodness-of-fit parameter for all reflections included in the refinement	1.091
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225876 (current)	2019-11-10	cif/ Adding structures of 4515751 via cif-deposit CGI script.	4515751.cif