Crystallography Open Database

Information card for entry 7117238

Preview

Coordinates	7117238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58.01 H55.02 Au2 F6 N P Sb
Calculated formula	C58.014 H55.016 Au2 F6 N P Sb
Title of publication	Dispersion, solvent and metal effects in the binding of gold cations to alkynyl ligands: implications for Au(I) catalysis
Authors of publication	Luisa Ciano; Natalie Fey; Connor J. V. Halliday; Jason M. Lynam; Lucy M. Milner; Nimesh Mistry; Natalie E. Pridmore; Nell S. Townsend; Adrian C. Whitwood
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	9702
a	24.291 ± 0.003 Å
b	17.933 ± 0.002 Å
c	24.334 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	10600 ± 2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.209
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
137604 (current)	2015-06-01	cif/ Adding structures of 7117237, 7117238, 7117239 via cif-deposit CGI script.	7117238.cif