Crystallography Open Database

Information card for entry 7127542

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Coordinates	7127542.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 Au Cl6 F6 N
Calculated formula	C28 H36 Au Cl6 F6 N
Title of publication	Striking ligand-disproportionative Cl/aryl scrambling in a simple Au(III) system. Solvent role, driving forces and mechanisms.
Authors of publication	Fernández-Moyano, Sara; Peñas-Defrutos, Marconi N; Bartolomé, Camino; Espinet, Pablo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	1
Pages of publication	125 - 128
a	10.2702 ± 0.0007 Å
b	12.5565 ± 0.0009 Å
c	16.0292 ± 0.0011 Å
α	103.351 ± 0.006°
β	101.635 ± 0.006°
γ	110.575 ± 0.006°
Cell volume	1789.9 ± 0.3 Å³
Cell temperature	294 K
Ambient diffraction temperature	294 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0905
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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