Information card for entry 2312994

Structure parameters

• Chemical name: Aqua{4,4'-di-<i>tert</i>-butyl-2,2'-[1,2-phenylenebis(nitrilomethylidyne)]diphenolato}zinc(II) tetrahydrofuran monosolvate
• Formula: C32 H40 N2 O4 Zn
• Calculated formula: C32 H40 N2 O4 Zn
• 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: 19.2863 ± 0.0007 Å
• b: 16.7349 ± 0.0006 Å
• c: 9.0749 ± 0.0003 Å
• α: 90°
• β: 103.286 ± 0.002°
• γ: 90°
• Cell volume: 2850.57 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes