Information card for entry 7055037

Structure parameters

• Formula: C44 H62 Cl2 Cu2 N6 O15
• Calculated formula: C44 H62 Cl2 Cu2 N6 O15
• SMILES: [Cu]1234[n]5ccccc5C[N]1(CC[OH]3)CCCC[N]2=Cc1c(c(ccc1)OC)O4.O(CC)CC.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: 13.9094 ± 0.0003 Å
• b: 18.2391 ± 0.0004 Å
• c: 20.6775 ± 0.0006 Å
• α: 90.039 ± 0.002°
• β: 91.901 ± 0.002°
• γ: 111.884 ± 0.002°
• Cell volume: 4864.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.173
• Residual factor for significantly intense reflections: 0.1565
• Weighted residual factors for significantly intense reflections: 0.3844
• Weighted residual factors for all reflections included in the refinement: 0.3908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No