Crystallography Open Database

Information card for entry 1545774

Preview

Coordinates	1545774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H37 Au F6 O P Sb
Calculated formula	C30 H37 Au F6 O P Sb
SMILES	[Au]12([P](c3c4c1cccc4ccc3)(C(C)C)C(C)C)[c]1(ccc(cc1)OC)[C@H]1[C@@H]2[C@@H]2CC[C@H]1C2.[Sb](F)(F)(F)(F)([F-])F.[Au]12([P](c3c4c1cccc4ccc3)(C(C)C)C(C)C)[c]1(ccc(cc1)OC)[C@@H]1[C@H]2[C@H]2CC[C@@H]1C2.[Sb](F)(F)(F)(F)([F-])F
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	12.9887 ± 0.0007 Å
b	15.9169 ± 0.0009 Å
c	15.3964 ± 0.0007 Å
α	90°
β	106.699 ± 0.0018°
γ	90°
Cell volume	3048.8 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.022
Residual factor for significantly intense reflections	0.0191
Weighted residual factors for significantly intense reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.0463
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
195609 (current)	2017-04-20	cif/ Adding structures of 1545774, 1545775 via cif-deposit CGI script.	1545774.cif