Information card for entry 7700223

Structure parameters

• Chemical name: {4-bromo-2-((E)-(3-((E)-5-methoxy-2-oxidobenzylideneamino)propylimino)methyl)phenolato}nickel(II) ethanol monosolvate
• Formula: C20 H23 Br N2 Ni O4
• Calculated formula: C20 H23 Br N2 Ni O4
• Title of publication: Push-pull unsymmetrical substitution in nickel(ii) complexes with tetradentate N₂O₂ Schiff base ligands: synthesis, structures and linear-nonlinear optical studies.
• Authors of publication: Rigamonti, Luca; Forni, Alessandra; Righetto, Stefania; Pasini, Alessandro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 30
• Pages of publication: 11217 - 11234
• a: 10.547 ± 0.0011 Å
• b: 9.3472 ± 0.001 Å
• c: 20.66 ± 0.002 Å
• α: 90°
• β: 98.968 ± 0.001°
• γ: 90°
• Cell volume: 2011.9 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.1016
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No