Crystallography Open Database

Information card for entry 4304660

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Structure parameters

Formula	C19 H17 Au F9 N3
Calculated formula	C19 H17 Au F9 N3
SMILES	[Au](c1c(cc(cc1C(F)(F)F)C(F)(F)F)C(F)(F)F)=C(Nc1ncccc1)N(CC)CC
Title of publication	Luminescent Gold(I) Carbenes from 2-Pyridylisocyanide Complexes: Structural Consequences of Intramolecular versus Intermolecular Hydrogen-Bonding Interactions
Authors of publication	Camino Bartolomé; Marta Carrasco-Rando; Silverio Coco; Carlos Cordovilla; Jose M. Martín-Alvarez; Pablo Espinet
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	1616 - 1624
a	9.9666 ± 0.0015 Å
b	15.7 ± 0.002 Å
c	27.822 ± 0.004 Å
α	90°
β	94.928 ± 0.003°
γ	90°
Cell volume	4337.4 ± 1.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0288
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.0683
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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