Crystallography Open Database

Information card for entry 4130885

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Coordinates	4130885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H9 Au Cl2 F N
Calculated formula	C12 H9 Au Cl2 F N
SMILES	[Au]1(c2c(c3[n]1cccc3C)c(F)ccc2)(Cl)Cl
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	7.8063 ± 0.0001 Å
b	17.0746 ± 0.0003 Å
c	17.892 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2384.81 ± 0.07 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 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	0.0375
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0535
Weighted residual factors for all reflections included in the refinement	0.0582
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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