Information card for entry 2215836

Structure parameters

• Chemical name: Bis[(1,3-benzothiazol-2-ylsulfanyl)acetato-κO]bis(imidazole-κN^3^)copper(II)
• Formula: C24 H20 Cu N6 O4 S4
• Calculated formula: C24 H20 Cu N6 O4 S4
• SMILES: C(=O)(CSc1nc2c(cccc2)s1)O[Cu]([n]1c[nH]cc1)([n]1c[nH]cc1)OC(=O)CSc1nc2c(cccc2)s1
• Title of publication: Bis[(1,3-benzothiazol-2-ylsulfanyl)acetato-κ<i>O</i>]bis(imidazole-κ<i>N</i>^3^)copper(II)
• Authors of publication: Bian, He-Dong; Huang, Fu-Ping; Yu, Qing; Liang, Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2821 - m2821
• a: 10.086 ± 0.003 Å
• b: 12.05 ± 0.003 Å
• c: 10.521 ± 0.003 Å
• α: 90°
• β: 91.281 ± 0.003°
• γ: 90°
• Cell volume: 1278.4 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.047
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes