Information card for entry 2231139

Structure parameters

• Chemical name: Tetra-μ-acetato-bis[(1,3-benzothiazole)copper(II)](<i>Cu</i>—<i>Cu</i>)
• Formula: C22 H22 Cu2 N2 O8 S2
• Calculated formula: C22 H22 Cu2 N2 O8 S2
• SMILES: c1[n](c2ccccc2s1)[Cu]1234[O]=C(C)O[Cu]4([O]=C(O1)C)([n]1csc4c1cccc4)(OC(C)=[O]2)[O]=C(O3)C
• Title of publication: Tetra-μ-acetato-bis[(1,3-benzothiazole)copper(II)](<i>Cu</i>—<i>Cu</i>)
• Authors of publication: Hermle, Johannes; Meyer, Gerd
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1089
• a: 7.185 ± 0.001 Å
• b: 8.1918 ± 0.0012 Å
• c: 11.8265 ± 0.0016 Å
• α: 106.516 ± 0.016°
• β: 106.429 ± 0.016°
• γ: 97.344 ± 0.017°
• Cell volume: 623.49 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes