Information card for entry 2312992

Structure parameters

• Chemical name: {4,4'-Di-<i>tert</i>-butyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II) toluene 1.33-solvate
• Formula: C37.33 H40.67 N2 Ni O2
• Calculated formula: C28 H30 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: 31.9167 ± 0.0016 Å
• b: 31.9167 ± 0.0016 Å
• c: 17.3494 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15305.6 ± 1.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes