Information card for entry 4333064

Structure parameters

• Formula: C19 H18 Cl3 Cu N3 O5
• Calculated formula: C19 H18 Cl3 Cu N3 O5
• SMILES: [Cu]123Oc4ccc(cc4C=[N]2CCC[N]3=Cc2cc(ccc2O1)OC)N(=O)=O.ClC(Cl)Cl
• Title of publication: Copper(II) Complexes of salen Analogues with Two Differently Substituted (Push−Pull) Salicylaldehyde Moieties. A Study on the Modulation of Electronic Asymmetry and Nonlinear Optical Properties
• Authors of publication: Rigamonti, Luca; Demartin, Francesco; Forni, Alessandra; Righetto, Stefania; Pasini, Alessandro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10976 - 10989
• a: 10.089 ± 0.001 Å
• b: 11.347 ± 0.001 Å
• c: 11.533 ± 0.001 Å
• α: 111.56 ± 0.01°
• β: 105.25 ± 0.01°
• γ: 103.71 ± 0.01°
• Cell volume: 1099.7 ± 0.2 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1439
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.2156
• Weighted residual factors for all reflections included in the refinement: 0.2629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No