Information card for entry 2312995

Structure parameters

• Chemical name: {4,4'-Bis(trifluoromethyl)-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II)
• Formula: C22 H12 F6 N2 Ni O2
• Calculated formula: C22 H12 F6 N2 Ni O2
• Title of publication: Structures of nickel-, copper-, and zinc-salophen derivatives.
• Authors of publication: Seymour, Jr, Derik A; Amsbaugh, Ritter V.; Colcord, Charlotte G.; Fejes, Isabelle R.; Gebhardt, Lindsey C.; Yap, Glenn P. A.; Deegan, Meaghan M.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 7
• Pages of publication: 336 - 350
• a: 11.3746 ± 0.0002 Å
• b: 9.7541 ± 0.0002 Å
• c: 17.3604 ± 0.0003 Å
• α: 90°
• β: 97.5496 ± 0.0011°
• γ: 90°
• Cell volume: 1909.42 ± 0.06 ų
• Cell temperature: 270 K
• Ambient diffraction temperature: 270 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes