Information card for entry 4337278

Structure parameters

• Formula: C20 H24 Cu N3 O4.5
• Calculated formula: C20 H24 Cu N3 O4.5
• SMILES: [Cu]12(OC(=N[N]1=Cc1c(c(ccc1)OC)O2)c1ccccc1O)[NH]1CCCCC1.O
• Title of publication: Synthesis, structural characterization, and magnetic properties of a copper-gadolinium complex derived from a hydroxybenzohydrazide ligand.
• Authors of publication: Costes, Jean-Pierre; Duhayon, Carine; Vendier, Laure
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 2181 - 2187
• a: 11.3862 ± 0.0004 Å
• b: 19.1051 ± 0.0007 Å
• c: 18.6796 ± 0.0007 Å
• α: 90°
• β: 107.783 ± 0.002°
• γ: 90°
• Cell volume: 3869.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections included in the refinement: 0.0319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No