Crystallography Open Database

Information card for entry 4129817

Preview

Coordinates	4129817.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	KH-1502
Chemical name	toste133
Formula	C38 H28 Au Cl5 F5 O2 P
Calculated formula	C38 H28 Au Cl5 F5 O2 P
Title of publication	Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).
Authors of publication	Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	2
Pages of publication	587 - 593
a	9.1432 ± 0.0005 Å
b	12.2321 ± 0.0007 Å
c	17.9451 ± 0.001 Å
α	104.66 ± 0.003°
β	103.941 ± 0.003°
γ	95.085 ± 0.003°
Cell volume	1860.38 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1109
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
240470 (current)	2019-11-25	cif/ Adding structures of 4129817 via cif-deposit CGI script.	4129817.cif