Crystallography Open Database

Information card for entry 4130802

Preview

Coordinates	4130802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H27 Au I P
Calculated formula	C19 H27 Au I P
SMILES	[Au]1(I)([P](c2c3c1cccc3ccc2)(C(C)C)C(C)C)CCC
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	8.5059 ± 0.0003 Å
b	10.5556 ± 0.0003 Å
c	11.4816 ± 0.0004 Å
α	90°
β	93.9911 ± 0.0016°
γ	90°
Cell volume	1028.37 ± 0.06 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.109
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
241167 (current)	2019-11-25	cif/ Adding structures of 4130802 via cif-deposit CGI script.	4130802.cif