Crystallography Open Database

Information card for entry 4130886

Preview

Coordinates	4130886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H12 Au F8 N
Calculated formula	C20 H12 Au F8 N
SMILES	[Au]1(c2c(c3[n]1cccc3C)c(F)ccc2)(F)c1cc(cc(c1)C(F)(F)F)C(F)(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	15.4933 ± 0.0003 Å
b	26.3923 ± 0.0005 Å
c	4.40199 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1799.99 ± 0.06 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.0756
Goodness-of-fit parameter for all reflections included in the refinement	1.11
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4130886.html