Information card for entry 1517291

Structure parameters

• Formula: C17 H14 Cl Cu N3 O9 S
• Calculated formula: C17 H14 Cl Cu N3 O9 S
• SMILES: [Cu]1([n]2c3c(c(cc2)O)ccc2c3[n]1ccc2O)(OC(=O)c1sc(Cl)cc1)([OH2])ON(=O)=O.O
• Title of publication: Synthesis, crystal structures and supramolecular architectures of square pyramidal Cu(II) complexes containing aromatic chelating N,N'-donor ligands
• Authors of publication: Jennifer, Samson Jegan; Muthiah, Packianathan Thomas
• Journal of publication: Chemistry Central Journal
• Year of publication: 2014
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 42
• a: 8.6712 ± 0.0003 Å
• b: 10.3617 ± 0.0004 Å
• c: 12.286 ± 0.0004 Å
• α: 95.336 ± 0.002°
• β: 96.851 ± 0.002°
• γ: 107.63 ± 0.002°
• Cell volume: 1034.75 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No