Information card for entry 4304661

Structure parameters

• Formula: C7 H9 Au Cl N3
• Calculated formula: C7 H9 Au Cl N3
• SMILES: Cl[Au]=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: 7.5377 ± 0.0011 Å
• b: 10.2355 ± 0.0014 Å
• c: 13.2172 ± 0.0018 Å
• α: 71.407 ± 0.003°
• β: 85.147 ± 0.004°
• γ: 84.556 ± 0.004°
• Cell volume: 960.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1306
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.139
• 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 Fobs: No