Information card for entry 1512680

Structure parameters

• Formula: C16 H26 Cl Cu N3 O5
• Calculated formula: C16 H26 Cl Cu N3 O5
• SMILES: [O-]Cl(=O)(=O)=O.CC1=[NH][Cu]2(OC(=C1)c1ccccc1)[N](C)(C)CC[N]2(C)C
• Title of publication: Syntheses of mixed chelate copper(II) complexes containing beta-ketoaminato and diamine ligands: Solvatochromism study
• Authors of publication: Hamid Golchoubian; Ehsan Rezaee; Giuseppeh Bruno; Hadi Amiri Rudbari
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 393
• Pages of publication: 1 - 9
• a: 15.0967 ± 0.0005 Å
• b: 15.7021 ± 0.0005 Å
• c: 16.8468 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3993.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0404
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No