Information card for entry 7055038

Structure parameters

• Formula: C18 H22 Cl Cu N3 O6
• Calculated formula: C18 H22 Cl Cu N3 O6
• SMILES: [Cu]1234Oc5c(C=[N]3CC[N]2(Cc2cccc[n]12)CCC[OH]4)cccc5.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: 19.0697 ± 0.0004 Å
• b: 10.6833 ± 0.0002 Å
• c: 18.9974 ± 0.0003 Å
• α: 90°
• β: 95.766 ± 0.002°
• γ: 90°
• Cell volume: 3850.71 ± 0.12 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No