Information card for entry 4074834

Structure parameters

• Formula: C19 H21 F6 N O2
• Calculated formula: C19 H21 F6 N O2
• Title of publication: Synthesis, Characterization, and Ethylene Polymerization Activities of Neutral Nickel(II) Complexes Derived from Anilino-Substituted Enone Ligands Bearing Trifluoromethyl and Trifluoroacetyl Substituents
• Authors of publication: Zhang, Lei; Brookhart, Maurice; White, Peter S.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 8
• Pages of publication: 1868
• a: 9.5817 ± 0.0004 Å
• b: 10.9073 ± 0.0005 Å
• c: 10.945 ± 0.0005 Å
• α: 111.17 ± 0.003°
• β: 108.944 ± 0.003°
• γ: 97.324 ± 0.003°
• Cell volume: 969.28 ± 0.08 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.051
• Goodness-of-fit parameter for significantly intense reflections: 2.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No