Information card for entry 2231155

Structure parameters

• Chemical name: Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis{[2-methylsulfanyl- 4-(pyridin-4-yl-κ<i>N</i>)pyrimidine]copper(II)}(<i>Cu—Cu</i>)
• Formula: C28 H30 Cu2 N6 O8 S2
• Calculated formula: C28 H30 Cu2 N6 O8 S2
• SMILES: c1c[n](ccc1c1ccnc(n1)SC)[Cu]1234[O]=C(O[Cu]4([n]4ccc(c5ccnc(n5)SC)cc4)([O]=C(O3)C)(OC(=[O]2)C)[O]=C(O1)C)C
• Title of publication: Tetra-μ-acetato-κ^8^<i>O</i>:<i>O</i>'-bis{[2-methylsulfanyl-4-(pyridin-4-yl-κ<i>N</i>)pyrimidine]copper(II)}(<i>Cu{—</i>Cu})
• Authors of publication: Zhu, Hai-Bin; Yang, Wen-Na
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1168
• a: 15.192 ± 0.002 Å
• b: 13.003 ± 0.002 Å
• c: 8.6108 ± 0.0013 Å
• α: 90°
• β: 103.781 ± 0.002°
• γ: 90°
• Cell volume: 1652 ± 0.4 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: 0.0408
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes