Information card for entry 7001146

Structure parameters

• Common name: (Au(N$C!N)Cl)(PF6)
• Formula: C16 H11 Au Cl F6 N2 P
• Calculated formula: C16 H11 Au Cl F6 N2 P
• 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: 5.826 ± 0.0005 Å
• b: 13.4747 ± 0.0012 Å
• c: 21.3305 ± 0.0019 Å
• α: 90°
• β: 93.96 ± 0.001°
• γ: 90°
• Cell volume: 1670.5 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Weighted residual factors for significantly intense reflections: 0.077
• Goodness-of-fit parameter for all reflections: 0.96
• Goodness-of-fit parameter for significantly intense reflections: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No