Information card for entry 1512980

Structure parameters

• Formula: C36 H32 Cu N6 O6
• Calculated formula: C36 H32 Cu N6 O6
• SMILES: [Cu]12(Oc3c(ccc(O)c3)C=[N]2C2C(=O)N(N(C=2C)C)c2ccccc2)Oc2c(C=[N]1C1=C(N(N(C1=O)c1ccccc1)C)C)ccc(O)c2
• Title of publication: Synthesis, spectral characterization and structural investigation on some 4-aminoantipyrine containing Schiff base Cu(II) complexes and their molecular association
• Authors of publication: P. Mosae Selvakumar; E. Suresh; P.S. Subramanian
• Journal of publication: Polyhedron
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 749 - 756
• a: 10.2073 ± 0.0016 Å
• b: 12.1721 ± 0.0019 Å
• c: 13.776 ± 0.002 Å
• α: 74.189 ± 0.003°
• β: 74.273 ± 0.003°
• γ: 80.569 ± 0.003°
• Cell volume: 1577.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No