Crystallography Open Database

Information card for entry 7043408

Preview

Coordinates	7043408.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H27 Au F5 P S
Calculated formula	C26 H27 Au F5 P S
SMILES	c1(c(c(c(c(c1F)F)F)F)F)S[Au][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	10.2791 ± 0.0004 Å
b	19.2381 ± 0.0008 Å
c	26.2618 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	5193.3 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.089
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.0921
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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.	7043408.cif