Crystallography Open Database

Information card for entry 4130803

Preview

Coordinates	4130803.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H23 Au I P
Calculated formula	C17 H23 Au I P
SMILES	[Au]1(I)([P](c2c3c1cccc3ccc2)(C(C)C)C(C)C)C
Title of publication	β-Hydride Elimination at Low-Coordinate Gold(III) Centers.
Authors of publication	Rekhroukh, Feriel; Estevez, Laura; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	36
Pages of publication	11920 - 11929
a	8.2625 ± 0.0005 Å
b	13.7282 ± 0.0008 Å
c	32.2865 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	3662.2 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.2184
Weighted residual factors for all reflections included in the refinement	0.2209
Goodness-of-fit parameter for all reflections included in the refinement	1.901
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
241168 (current)	2019-11-25	cif/ Adding structures of 4130803 via cif-deposit CGI script.	4130803.cif