Crystallography Open Database

Information card for entry 7105719

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Structure parameters

Formula	C30 H38 Au Cl6 N3
Calculated formula	C30 H38 Au Cl6 N3
SMILES	[Au](C#N)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
Title of publication	Ligand influence in the selective gold-mediated synthesis of allenes (gold-NHC complexes)
Authors of publication	Pierrick Nun; Sylvain Gaillard; Alexandra Slawin; Steven P. Nolan
Journal of publication	Chem.Commun.
Year of publication	2010
Journal volume	46
Pages of publication	9113
a	10.415 ± 0.008 Å
b	12.852 ± 0.005 Å
c	15.096 ± 0.008 Å
α	68.8 ± 0.05°
β	88.93 ± 0.07°
γ	77.34 ± 0.06°
Cell volume	1834 ± 2 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2083
Residual factor for significantly intense reflections	0.1346
Weighted residual factors for significantly intense reflections	0.2898
Weighted residual factors for all reflections included in the refinement	0.3484
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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