Information card for entry 2235497

Structure parameters

• Chemical name: Bis[2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl-κ<i>N</i>^3^)phenolato- κ<i>O</i>^1^]copper(II)
• Formula: C18 H14 Cu N4 O4 S2
• Calculated formula: C18 H14 Cu N4 O4 S2
• SMILES: [Cu]12(Oc3c(c4[n]1nc(o4)SC)cccc3)[n]1c(c3c(cccc3)O2)oc(n1)SC
• Title of publication: Bis[2-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl-κ<i>N</i>^3^)phenolato-κ<i>O</i>^1^]copper(II)
• Authors of publication: Ouilia, Souheila; Beghidja, Chahrazed; Beghidja, Adel; Michaud, François
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m943
• a: 12.5695 ± 0.0007 Å
• b: 4.4216 ± 0.0003 Å
• c: 17.3861 ± 0.0009 Å
• α: 90°
• β: 106.005 ± 0.006°
• γ: 90°
• Cell volume: 928.82 ± 0.1 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• 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: 0.06
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0664
• 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