Information card for entry 2232694

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[(pyridine-κ<i>N</i>)copper(II)]-μ- 3-{1-[(2-aminoethyl)imino]ethyl}-6-methyl-2-oxo-2<i>H</i>-pyran-4-olato- κ^4^<i>N</i>,<i>N</i>,<i>O</i>^4^:<i>O</i>^2^] perchlorate]
• Formula: C15 H18 Cl Cu N3 O7
• Calculated formula: C15 H18 Cl Cu N3 O7
• SMILES: [Cu]12([n]3ccccc3)([NH2]CC[N]1=C(C)c1c(=O)oc(C)cc1O2)[O]=c1oc(cc2O[Cu]3([N](CC[NH2]3)=C(c12)C)[n]1ccccc1)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[[(pyridine-κ<i>N</i>)copper(II)]-μ-3-{1-[(2-aminoethyl)imino]ethyl}-6-methyl-2-oxo-2<i>H</i>-pyran-4-olato-κ^4^<i>N</i>,<i>N</i>,<i>O</i>^4^:<i>O</i>^2^] perchlorate]
• Authors of publication: Ourari, Ali; Derafa, Wassila; Bouacida, Sofiane; Aggoun, Djouhra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1720 - m1721
• a: 8.809 ± 0.0002 Å
• b: 19.9017 ± 0.0004 Å
• c: 20.9053 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3664.99 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes