Crystallography Open Database

Information card for entry 4517584

Preview

Coordinates	4517584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H47 Au B F20 N
Calculated formula	C62 H47 Au B F20 N
Title of publication	Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes
Authors of publication	Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy
Journal of publication	ACS Catalysis
Year of publication	2020
Pages of publication	5190
a	15.2805 ± 0.0009 Å
b	18.4692 ± 0.0012 Å
c	20.3195 ± 0.0013 Å
α	78.445 ± 0.001°
β	80.937 ± 0.001°
γ	82.219 ± 0.001°
Cell volume	5516.1 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0555
Weighted residual factors for all reflections included in the refinement	0.0615
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation probe	x-ray
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
250887 (current)	2020-04-17	cif/ Adding structures of 4517584 via cif-deposit CGI script.	4517584.cif