Information card for entry 4065647

Structure parameters

• Formula: C14 H14 Au Cl N2 O4
• Calculated formula: C14 H14 Au Cl N2 O4
• Title of publication: Intramolecular C(sp2)−H Bond Activation in 6,6′-Dimethoxy-2,2′-Bipyridine with Gold(III). Crystal and Molecular Structure of the First N′,C(3) “Rollover” Cycloaurated Derivative
• Authors of publication: Cocco, Fabio; Cinellu, Maria A.; Minghetti, Giovanni; Zucca, Antonio; Stoccoro, Sergio; Maiore, Laura; Manassero, Mario
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 1064
• a: 7.1495 ± 0.0006 Å
• b: 18.0815 ± 0.0014 Å
• c: 12.6678 ± 0.001 Å
• α: 90°
• β: 96.71 ± 0.001°
• γ: 90°
• Cell volume: 1626.4 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.089
• Goodness-of-fit parameter for all reflections: 1.023
• Goodness-of-fit parameter for significantly intense reflections: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No