Information card for entry 4316719

Structure parameters

• Common name: complex5 (Sinay)
• Formula: C16 H12 F4 Li N3 O
• Calculated formula: C16 H12 F4 Li N3 O
• Title of publication: Chemoselectivity Diversity in the Reaction of LiNC6F5SiMe3 with Nitriles and the Synthesis, Structure, and Reactivity of Zirconium Mono- and Tris[2-(2-pyridyl)tetrafluorobenzimidazolate] Complexes
• Authors of publication: Sinai Aharonovich; Mark Botoshansky; Robert M. Waymouth; Moris S. Eisen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9217 - 9229
• a: 15.886 ± 0.0008 Å
• b: 11.78 ± 0.0006 Å
• c: 16.277 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3046 ± 0.3 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No