Information card for entry 7055036

Structure parameters

• Formula: C19 H24 Cl Cu N3 O6
• Calculated formula: C19 H24 Cl Cu N3 O6
• SMILES: [Cu]1234Oc5ccccc5C=[N]2CCCC[N]4(CC[OH]1)Cc1[n]3cccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Probing the effect of arm length and inter- and intramolecular interactions in the formation of Cu(ii) complexes of Schiff base ligands derived from some unsymmetrical tripodal amines
• Authors of publication: Keypour, Hassan; Shayesteh, Maryam; Salehzadeh, Sadegh; Dhers, Sébastien; Maleki, Farahnaz; Ünver, Hüseyin; Dilek, Nefise
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 9
• Pages of publication: 7429
• a: 11.5021 ± 0.0003 Å
• b: 18.7307 ± 0.0005 Å
• c: 20.7277 ± 0.0007 Å
• α: 90°
• β: 95.504 ± 0.001°
• γ: 90°
• Cell volume: 4445 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No