Information card for entry 2205012

Structure parameters

• Chemical name: Tetrakis(μ~2~-4-tolylthioacetato-κ^2^O:O')bis[(pyridine-κN)copper(II)]
• Formula: C46 H46 Cu2 N2 O8 S4
• Calculated formula: C46 H46 Cu2 N2 O8 S4
• SMILES: C1(CSc2ccc(cc2)C)=[O][Cu]234([n]5ccccc5)OC(=[O][Cu]4(O1)([n]1ccccc1)(OC(CSc1ccc(cc1)C)=[O]2)[O]=C(O3)CSc1ccc(cc1)C)CSc1ccc(cc1)C
• Title of publication: Tetrakis(μ~2~-4-tolylthioacetato-κ^2^<i>O</i>:<i>O</i>')bis[(pyridine-κ<i>N</i>)copper(II)]
• Authors of publication: Gao, Shan; Huo, Li-Hua; Shu, Hong; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m389 - m391
• a: 13.341 ± 0.003 Å
• b: 13.981 ± 0.003 Å
• c: 14.185 ± 0.003 Å
• α: 70.33 ± 0.01°
• β: 75.8 ± 0.01°
• γ: 66.64 ± 0.01°
• Cell volume: 2268 ± 0.9 ų
• Cell temperature: 275 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes