Crystallography Open Database

Information card for entry 4304662

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Structure parameters

Formula	C13 H9 Au F5 N3
Calculated formula	C13 H9 Au F5 N3
SMILES	[Au](c1c(F)c(F)c(F)c(F)c1F)=C(NC)Nc1ccccn1
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	5.955 ± 0.003 Å
b	7.525 ± 0.004 Å
c	15.22 ± 0.009 Å
α	90°
β	96.51 ± 0.01°
γ	90°
Cell volume	677.6 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.025
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0631
Weighted residual factors for all reflections included in the refinement	0.0642
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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