Crystallography Open Database

Information card for entry 4133811

Preview

Coordinates	4133811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.84 H37.31 Au B22 Br12 Cl0.47 F0.77 N2 S
Calculated formula	C30.84 H37.304 Au B22 Br12 Cl0.464 F0.768 N2 S
Title of publication	Strongly Coordinating Ligands to Form Weakly Coordinating yet Functional Organometallic Anions.
Authors of publication	Fisher, Steven P.; McArthur, Scott G.; Tej, Varun; Lee, Sarah E.; Chan, Allen L.; Banda, Isaac; Gregory, Aaron; Berkley, Kevin; Tsay, Charlene; Rheingold, Arnold L.; Guisado-Barrios, Gregorio; Lavallo, Vincent
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
a	9.0627 ± 0.0005 Å
b	17.182 ± 0.0009 Å
c	18.6821 ± 0.001 Å
α	87.768 ± 0.0009°
β	88.6994 ± 0.0008°
γ	75.7526 ± 0.0008°
Cell volume	2817.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0606
Weighted residual factors for all reflections included in the refinement	0.0626
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
245403 (current)	2019-12-20	cif/ Adding structures of 4133811 via cif-deposit CGI script.	4133811.cif