Information card for entry 2312997

Structure parameters

• Chemical name: {4,4'-Di-<i>tert</i>-butyl-6,6'-bis[(diisopropylamino)methyl]-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato}nickel(II)
• Formula: C42 H60 N4 Ni O2
• Calculated formula: C42 H60 N4 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: 29.296 ± 0.003 Å
• b: 16.6348 ± 0.0015 Å
• c: 8.2834 ± 0.0008 Å
• α: 90°
• β: 104.247 ± 0.004°
• γ: 90°
• Cell volume: 3912.6 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0533
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes