Information card for entry 7056937

Structure parameters

• Formula: C18 H18 Cu N2 O2
• Calculated formula: C18 H18 Cu N2 O2
• SMILES: [Cu]123[N](=Cc4c(cccc4)O2)C(C[N]1=Cc1c(cccc1)O3)(C)C
• Title of publication: Reactions of a series of ZnL, CuL and NiL Schiff base and non-Schiff base complexes with MCl2 salts (M = Cu, Ni, Mn): syntheses, structures, magnetic properties and DFT calculations
• Authors of publication: Costes, Jean-Pierre; Duhayon, Carine; Vendier, Laure; Mota, Antonio J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 3683
• a: 15.9036 ± 0.0004 Å
• b: 11.4442 ± 0.0003 Å
• c: 17.4141 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3169.44 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for all reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections included in the refinement: 0.0324
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9698
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No