Information card for entry 4023793

Structure parameters

• Common name: 2-phenyl-pyrido[1,2-a][1,2,4]-triazol-3-ylidene-silver(I) hexafluorophosphate
• Formula: C24 H18 Ag F6 N6 P
• Calculated formula: C24 H18 Ag F6 N6 P
• Title of publication: Pyrido[1,2-a][1,2,4]triazol-3-ylidenes as a New Family of Stable Annulated N-Heterocyclic Carbenes: Synthesis, Reactivity, and Their Application in Coordination Chemistry and Organocatalysis
• Authors of publication: Yajun Ma; Siping Wei; Jingbo Lan; Jingzhi Wang; Rugang Xie; Jingsong You
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 8256 - 8264
• a: 12.484 ± 0.008 Å
• b: 7.148 ± 0.003 Å
• c: 27.263 ± 0.005 Å
• α: 90°
• β: 96.14 ± 0.03°
• γ: 90°
• Cell volume: 2418.8 ± 1.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/a 1
• Hall space group symbol: -P 2ya
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No