Crystallography Open Database

Information card for entry 4133812

Preview

Coordinates	4133812.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8.36 H31.71 Au B22 Cl2.71 N2 S
Calculated formula	C8.354 H31.708 Au B22 Cl2.708 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	29.2447 ± 0.0015 Å
b	14.0197 ± 0.0007 Å
c	14.3142 ± 0.0007 Å
α	90°
β	93.2313 ± 0.0007°
γ	90°
Cell volume	5859.5 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0375
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.0871
Goodness-of-fit parameter for all reflections included in the refinement	1.166
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
245404 (current)	2019-12-20	cif/ Adding structures of 4133812 via cif-deposit CGI script.	4133812.cif