Information card for entry 7001147

Structure parameters

• Common name: (Au(N$C!N)Cl(PPh3)2)(PF6)
• Formula: C53 H43 Au Cl3 F6 N2 P3
• Calculated formula: C53 H43 Au Cl3 F6 N2 P3
• Title of publication: Reactivity of 1,3-bis(2-pyridyl)benzene, N⁁CH⁁N, with gold(iii) chlorides: salts, adducts and cyclometalated pincer derivatives. Crystal and molecular structures of [HN⁁CH⁁N][AuCl4], [Au(N⁁C⁁N)Cl][PF6] and [Au(N⁁C⁁N)Cl(PPh3)2][PF6]
• Authors of publication: Stoccoro, Sergio; Alesso, Giuseppe; Cinellu, Maria Agostina; Minghetti, Giovanni; Zucca, Antonio; Manassero, Mario; Manassero, Carlo
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 18
• Pages of publication: 3467 - 3477
• a: 14.8738 ± 0.0009 Å
• b: 16.575 ± 0.001 Å
• c: 19.6092 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4834.3 ± 0.5 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.043
• Goodness-of-fit parameter for all reflections: 0.949
• Goodness-of-fit parameter for significantly intense reflections: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No