Information card for entry 4349043

Structure parameters

• Common name: [(2-CF3-PyMa)Ni(Mes)Br]
• Chemical name: [(2-CF3-PyMa)Ni(Mes)Br]
• Formula: C22 H20 Br F3 N2 Ni
• Calculated formula: C22 H20 Br F3 N2 Ni
• SMILES: Br[Ni]1([N](c2c(C(F)(F)F)cccc2)=Cc2[n]1cccc2)c1c(cc(cc1C)C)C
• Title of publication: Unsymmetrical N-Aryl-1-(pyridin-2-yl)methanimine Ligands in Organonickel(II) Complexes: More Than a Blend of 2,2'-Bipyridine and N,N-Diaryl-α-diimines?
• Authors of publication: Biewer, Christian; Hamacher, Claudia; Kaiser, Andre; Vogt, Nicolas; Sandleben, Aaron; Chin, Mason T.; Yu, Siqi; Vicic, David A.; Klein, Axel
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 24
• Pages of publication: 12716 - 12727
• a: 11.7586 ± 0.001 Å
• b: 13.383 ± 0.0011 Å
• c: 15.4157 ± 0.0012 Å
• α: 82.802 ± 0.006°
• β: 68.13 ± 0.006°
• γ: 78.74 ± 0.007°
• Cell volume: 2204.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2666
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 0.745
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No