Crystallography Open Database

Information card for entry 4063947

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Coordinates	4063947.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H44 Au B F4 N4
Calculated formula	C35 H44 Au B F4 N4
SMILES	[Au](=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=C(N1CCCCC1)Nc1c(cccc1C)C.[B](F)(F)(F)[F-]
Title of publication	Synthesis and Mechanism of Formation of Novel NHC−NAC Bis-Carbene Complexes of Gold(I)
Authors of publication	Canovese, Luciano; Visentin, Fabiano; Levi, Carlo; Bertolasi, Valerio
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	4
Pages of publication	875
a	13.7923 ± 0.0004 Å
b	21.4354 ± 0.0008 Å
c	24.0185 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	7100.9 ± 0.4 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0862
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.1051
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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