Crystallography Open Database

Information card for entry 4108553

Preview

Coordinates	4108553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H24 Au F16 N O S4
Calculated formula	C33.99 H24 Au F16 N O S4
Title of publication	Reversible Oxidative Addition and Reductive Elimination of Fluorinated Disulfides at Gold(I) Thiolate Complexes: A New Ligand Exchange Mechanism
Authors of publication	Robert E. Bachman; Sheri A. Bodolosky-Bettis; Chelsea J. Pyle; Margaret Anne Gray
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	14303 - 14310
a	10.2038 ± 0.0008 Å
b	19.3075 ± 0.0015 Å
c	10.2546 ± 0.0008 Å
α	90°
β	92.171 ± 0.001°
γ	90°
Cell volume	2018.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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