Information card for entry 1512844

Structure parameters

• Formula: C18 H14 Cl Cu N5 O7
• Calculated formula: C18 H14 Cl Cu N5 O7
• SMILES: [Cu]123OC(=O)C(=[N]1NC(=O)c1cc(n([n]21)c1cccc[n]31)C)c1ccccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Three new 1D Cu(II) coordination polymers and a binuclear Cu(II) complex of two pyrazole derived Schiff base ligands: Heterocyclic ring substitution and anion dependent structural variations - Spectral studies
• Authors of publication: Saugata Konar; Atanu Jana; Kinsuk Das; Sangita Ray; Sudipta Chatterjee; Susanta Kumar Kar
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 395
• Pages of publication: 1 - 10
• a: 14.611 ± 0.006 Å
• b: 15.551 ± 0.006 Å
• c: 8.837 ± 0.004 Å
• α: 90°
• β: 102.36 ± 0.01°
• γ: 90°
• Cell volume: 1961.4 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.099
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No