Crystallography Open Database

Information card for entry 1545775

Preview

Coordinates	1545775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H25 Au I P
Calculated formula	C22 H25 Au I P
SMILES	[Au]1(I)([P](c2c3c1cccc3ccc2)(C(C)C)C(C)C)c1ccccc1
Title of publication	Gold(III)-arene complexes by insertion of olefins into gold-aryl bonds
Authors of publication	Rekhroukh, Feriel; Blons, Charlie; Estevez, Laura; Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier
Journal of publication	Chem. Sci.
Year of publication	2017
a	8.429 ± 0.0003 Å
b	10.7662 ± 0.0003 Å
c	11.6292 ± 0.0003 Å
α	90°
β	94.266 ± 0.002°
γ	90°
Cell volume	1052.41 ± 0.05 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	0.0451
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1109
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	0.934
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
195609 (current)	2017-04-20	cif/ Adding structures of 1545774, 1545775 via cif-deposit CGI script.	1545775.cif