Crystallography Open Database

Information card for entry 1559048

Preview

Coordinates	1559048.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(C6H11NC)2Au]BArF24
Formula	C46 H34 Au B F24 N2
Calculated formula	C46 H34 Au B F24 N2
SMILES	[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.C(#[N]C1CCCCC1)[Au]C#[N]C1CCCCC1
Title of publication	Seeing Luminescence Appear as Crystals Crumble. Isolation and Subsequent Self-Association of Individual [(C6H11NC)2Au]+ Ions in Crystals.
Authors of publication	Luong, Lucy M. C.; Lowe, Christopher D.; Adams, Alexandria V.; Moshayedi, Venoos; Olmstead, Marilyn M.; Balch, Alan L.
Journal of publication	Chemical Science
Year of publication	2020
a	23.708 ± 0.003 Å
b	9.1838 ± 0.001 Å
c	23.643 ± 0.003 Å
α	90°
β	114.129 ± 0.002°
γ	90°
Cell volume	4698 ± 1 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0252
Residual factor for significantly intense reflections	0.0192
Weighted residual factors for significantly intense reflections	0.0449
Weighted residual factors for all reflections included in the refinement	0.0469
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
256329 (current)	2020-09-11	cif/ Adding structures of 1559046, 1559047, 1559048 via cif-deposit CGI script.	1559048.cif