Information card for entry 2233435

Structure parameters

• Chemical name: {2,6-Bis[(2,4,5-trifluorophenyl)iminomethyl]pyridine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dichloridonickel(II)
• Formula: C19 H9 Cl2 F6 N3 Ni
• Calculated formula: C19 H9 Cl2 F6 N3 Ni
• SMILES: c12cccc3[n]2[Ni]([N](=C1)c1c(cc(c(c1)F)F)F)(Cl)([N](=C3)c1c(cc(F)c(F)c1)F)Cl
• Title of publication: A second monoclinic polymorph of {2,6-bis[(2,4,5-trifluorophenyl)iminomethyl]pyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}dichloridonickel(II)
• Authors of publication: Baldovino-Pantaleón, Oscar; Hernández-Ortega, Simón; Reyes-Martínez, Reyna; Morales-Morales, David
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m134
• a: 18.0947 ± 0.0013 Å
• b: 8.8967 ± 0.0006 Å
• c: 12.1638 ± 0.0009 Å
• α: 90°
• β: 101.421 ± 0.002°
• γ: 90°
• Cell volume: 1919.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0292
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes