Information card for entry 1517294

Structure parameters

• Formula: C22 H14 Cl2 Cu N2 O5 S2
• Calculated formula: C22 H14 Cl2 Cu N2 O5 S2
• SMILES: [Cu]1(OC(=O)c2sc(Cl)cc2)(OC(=O)c2sc(Cl)cc2)([OH2])[n]2cccc3c2c2[n]1cccc2cc3
• 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: 13.4364 ± 0.0003 Å
• b: 10.4855 ± 0.0003 Å
• c: 20.039 ± 0.0004 Å
• α: 90°
• β: 123.741 ± 0.001°
• γ: 90°
• Cell volume: 2347.69 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.061
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No