Crystallography Open Database

Information card for entry 7043406

Preview

Coordinates	7043406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H31 Au F P S
Calculated formula	C26 H31 Au F P S
SMILES	[Au](Sc1cc(F)ccc1)[P](c1c(c2ccccc2)cccc1)(C(C)(C)C)C(C)(C)C
Title of publication	π-Backbonding and non-covalent interactions in JohnPhos and polyfluorothiolate complexes of gold(I)
Authors of publication	Moreno-Alcántar, Luis Guillermo; Hess, Kristopher; Guevara-Vela, José Manuel; Rocha-Rinza, Tomás; Martín Pendás, Angel; Flores-Alamo, Marcos; Torrens, Hugo
Journal of publication	Dalton Trans.
Year of publication	2017
a	11.0004 ± 0.0006 Å
b	14.5902 ± 0.0006 Å
c	16.9126 ± 0.0008 Å
α	108.771 ± 0.004°
β	104.898 ± 0.004°
γ	91.213 ± 0.004°
Cell volume	2467.6 ± 0.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.0764
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
198107 (current)	2017-06-23	cif/ Adding structures of 7043406, 7043407, 7043408, 7043409, 7043410, 7043411, 7043412, 7043413 via cif-deposit CGI script.	7043406.cif