Information card for entry 2214056

Structure parameters

• Chemical name: Tetra-μ-acetato-κ^8^O:O'-bis[(2-amino-1,3-benzothiazole-κN)copper(II)] butanol disolvate
• Formula: C30 H44 Cu2 N4 O10 S2
• Calculated formula: C30 H44 Cu2 N4 O10 S2
• SMILES: c1(N)[n](c2c(cccc2)s1)[Cu]1234[O]=C(C)O[Cu]4([n]4c(N)sc5c4cccc5)([O]=C(C)O2)(OC(=[O]3)C)[O]=C(O1)C.OCCCC.OCCCC
• Title of publication: Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis[(2-amino-1,3-benzothiazole-κ<i>N</i>)copper(II)] butanol disolvate
• Authors of publication: Yi-Feng Sun; Jing-Rong Lu; Ze-Bao Zheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1881 - m1881
• a: 10.0998 ± 0.0017 Å
• b: 11.465 ± 0.002 Å
• c: 16.514 ± 0.003 Å
• α: 90°
• β: 91.242 ± 0.007°
• γ: 90°
• Cell volume: 1911.8 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0889
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.2465
• Weighted residual factors for all reflections included in the refinement: 0.2491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes