Crystallography Open Database

Information card for entry 4076604

Preview

Coordinates	4076604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H3 Au F15 N
Calculated formula	C20 H3 Au F15 N
SMILES	[Au](c1c(c(c(c(c1F)F)F)F)F)([N]#CC)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(F)c(c1F)F)F)F
Title of publication	Oxidative Rearrangement in Gold Organometallics
Authors of publication	Overton, Atiya T.; López-de-Luzuriaga, José M.; Olmos, M. Elena; Mohamed, Ahmed A.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	9
Pages of publication	3460
a	15.064 ± 0.003 Å
b	13.146 ± 0.002 Å
c	20.481 ± 0.003 Å
α	90°
β	92.762 ± 0.002°
γ	90°
Cell volume	4051.2 ± 1.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.0643
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	4078262
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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