Information card for entry 2204142

Structure parameters

• Chemical name: [5-Bromo-N-(2-pyridylethylsulfanylethyl)salicylideneiminato- κ^4^N,N',O,S]copper(II) perchlorate
• Formula: C16 H16 Br Cl Cu N2 O5 S
• Calculated formula: C16 H16 Br Cl Cu N2 O5 S
• SMILES: Brc1ccc2O[Cu]34[S](CC[N]3=Cc2c1)CCc1[n]4cccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: [5-Bromo-<i>N</i>-(2-pyridylethylsulfanylethyl)salicylideneiminato-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>S</i>]copper(II) perchlorate
• Authors of publication: Saghatforoush, Lotf A.; Hossaini Sadr, Moayad; Lewis, William; Wikaira, Jan; Robinson, Ward T.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m1259 - m1260
• a: 9.9542 ± 0.0006 Å
• b: 8.8479 ± 0.0006 Å
• c: 21.223 ± 0.001 Å
• α: 90°
• β: 102.263 ± 0.001°
• γ: 90°
• Cell volume: 1826.54 ± 0.19 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes