Crystallography Open Database

Information card for entry 7132989

Preview

Coordinates	7132989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H29 Au B2 F8 N6
Calculated formula	C21 H29 Au B2 F8 N6
SMILES	[Au]([n]1cn(cc1)C)([N]#CC)([n]1cn(cc1)C)c1c(C)cc(cc1C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].N#CC
Title of publication	An extremely electron poor Au(III) trication bearing acetonitrile ligands.
Authors of publication	Barwise, Lachlan; Moon, Lachlan J.; Dhakal, Bibidh; Hogan, Conor F.; White, Keith F.; Dutton, Jason L.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	43
Pages of publication	5586 - 5589
a	9.4083 ± 0.0001 Å
b	19.422 ± 0.0002 Å
c	15.7483 ± 0.0002 Å
α	90°
β	103.473 ± 0.001°
γ	90°
Cell volume	2798.46 ± 0.06 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292789 (current)	2024-07-05	cif/ Updating files of 7132988, 7132989 Original log message: Adding full bibliography for 7132988--7132989.cif.	7132989.cif
291434	2024-05-02	cif/ Adding structures of 7132988, 7132989 via cif-deposit CGI script.	7132989.cif