Crystallography Open Database

Information card for entry 7105456

Preview

Coordinates	7105456.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.5 H39.5 Au Cl1.5 N2 O2
Calculated formula	C29.5 H39.5 Au Cl1.5 N2 O2
SMILES	[Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)OC(=O)C.C(Cl)(Cl)Cl
Title of publication	A N-heterocyclic carbene gold hydroxide complex: a golden synthon
Authors of publication	Gaillard, Sylvain; Slawin, Alexandra M. Z.; Nolan, Steven P.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	16
Pages of publication	2742
a	17.53 ± 0.005 Å
b	23.69 ± 0.006 Å
c	16.642 ± 0.005 Å
α	90°
β	117.753 ± 0.007°
γ	90°
Cell volume	6116 ± 3 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	6
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	0.188
Residual factor for significantly intense reflections	0.0825
Weighted residual factors for significantly intense reflections	0.1571
Weighted residual factors for all reflections included in the refinement	0.1962
Goodness-of-fit parameter for all reflections included in the refinement	0.976
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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