Information card for entry 4316722

Structure parameters

• Common name: complex11 (Sinay)
• Formula: C20 H24 Cl F4 N5 O Zr
• Calculated formula: C20 H24 Cl F4 N5 O Zr
• 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: 11.225 ± 0.002 Å
• b: 15.239 ± 0.003 Å
• c: 27.853 ± 0.006 Å
• α: 90°
• β: 98.97 ± 0.03°
• γ: 90°
• Cell volume: 4706.2 ± 1.7 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1552
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.1799
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No