Information card for entry 1512843

Structure parameters

• Formula: C26 H22 Cl2 Cu2 N8 O6
• Calculated formula: C26 H22 Cl2 Cu2 N8 O6
• SMILES: [Cu]123([Cl][Cu]45([Cl]1)OC(=O)C(=[N]5NC(=O)c1[n]4[nH]c(C)c1)c1ccccc1)OC(=O)C(=[N]3NC(=O)c1[n]2[nH]c(c1)C)c1ccccc1
• 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: 16.524 ± 0.004 Å
• b: 7.958 ± 0.002 Å
• c: 21.913 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2881.5 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No