Information card for entry 7055035

Structure parameters

• Formula: C22 H24 Cl Cu N3 O6
• Calculated formula: C22 H24 Cl Cu N3 O6
• SMILES: [Cu]1234[N](CCC[N]2(Cc2[n]1cccc2)CC[OH]3)=Cc1c(O4)ccc2ccccc12.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: 13.127 ± 0.0002 Å
• b: 13.7157 ± 0.0002 Å
• c: 12.1763 ± 0.0002 Å
• α: 90°
• β: 103.203 ± 0.002°
• γ: 90°
• Cell volume: 2134.35 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No