Information card for entry 2022727

Structure parameters

• Chemical name: Bis(aqua-κ<i>O</i>)[<i>N</i>-(2-oxidobenzylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)–(aqua-κ<i>O</i>)[<i>N</i>-(2-oxidobenzylidene)valinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)
• Formula: C24 H32 Cu2 N4 O9
• Calculated formula: C24 H32 Cu2 N2 O9
• Title of publication: Crystal structure and Hirshfeld surface analysis of mono/bis-(aqua-κ<i>O</i>)[<i>N</i>-(2-oxido-benzyl-idene)valinato-κ³ <i>O</i>,<i>N</i>,<i>O</i>']copper(II): dimeric Schiff base copper(II) complexes having different numbers of coordinated water mol-ecules.
• Authors of publication: Akiyama, Yukihito; Suzuki, Soma; Suda, Shintaro; Takiguchi, Yuji; Nakane, Daisuke; Akitsu, Takashiro
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 4
• Pages of publication: 361 - 366
• a: 5.2966 ± 0.0003 Å
• b: 15.8698 ± 0.001 Å
• c: 29.5216 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2481.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes