Crystallography Open Database

Information card for entry 7043409

Preview

Coordinates	7043409.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H30 Au F2 P S
Calculated formula	C26 H30 Au F2 P S
SMILES	c1ccccc1c1ccccc1[P](C(C)(C)C)(C(C)(C)C)[Au]Sc1cc(cc(c1)F)F
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	9.8864 ± 0.0006 Å
b	11.9819 ± 0.0007 Å
c	21.5082 ± 0.0011 Å
α	75.206 ± 0.005°
β	82.287 ± 0.005°
γ	85.619 ± 0.005°
Cell volume	2438.7 ± 0.2 Å³
Cell temperature	403 ± 2 K
Ambient diffraction temperature	403 ± 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	0.0497
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.058
Weighted residual factors for all reflections included in the refinement	0.0646
Goodness-of-fit parameter for all reflections included in the refinement	0.972
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.	7043409.cif