Crystallography Open Database

Information card for entry 4130880

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Coordinates	4130880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H9 Au F3 N
Calculated formula	C12 H9 Au F3 N
SMILES	[Au]1(c2c(c3[n]1cccc3C)c(F)ccc2)(F)F
Title of publication	Evidence for Direct Transmetalation of Au<sup>III</sup>-F with Boronic Acids.
Authors of publication	Kumar, Roopender; Linden, Anthony; Nevado, Cristina
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	42
Pages of publication	13790 - 13793
a	7.45956 ± 0.00014 Å
b	16.6803 ± 0.0002 Å
c	16.8248 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2093.47 ± 0.07 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
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	0.0463
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0595
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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