Information card for entry 7055039

Structure parameters

• Formula: C38 H48 Cl2 Cu2 N6 O12
• Calculated formula: C38 H48 Cl2 Cu2 N6 O12
• SMILES: c1cccc2C[N]3(CCCO)[Cu]45([O](c6ccccc6C=[N]4CCC3)[Cu]346[N](CCC[N]4(Cc4cccc[n]34)CCCO)=Cc3c(=[O]56)cccc3)[n]12.Cl(=O)(=O)(=O)[O-].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: 12.2844 ± 0.0002 Å
• b: 14.1806 ± 0.0002 Å
• c: 23.149 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4032.56 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1021
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2612
• Weighted residual factors for all reflections included in the refinement: 0.2657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.355
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No