Information card for entry 2007759

Structure parameters

• Chemical name: Bis[di-[(2-pyridine)ketone thiosemicarbazone]copper(II) acetate ] dimethanol
• Formula: C30 H34 Cu2 N10 O6 S2
• Calculated formula: C30 H34 Cu2 N10 O6 S2
• SMILES: C1(=N[N]2[Cu]3(OC(=O)C)(S1)[n]1ccccc1C=2c1[n](cccc1)[Cu]12([N](=C(c4cccc[n]14)c1[n]3cccc1)N=C(N)S2)OC(=O)C)N.OC.OC
• Title of publication: Bis[μ-(di-2-pyridyl ketone thiosemicarbazonato-<i>N</i>^1^,<i>N</i>'',<i>S</i>:<i>N</i>')]bis[(acetato-<i>O</i>)copper(II)] Dimethanol Solvate
• Authors of publication: Chun-Ying Duan; Xiao-Zeng You; T.C.W. Mak
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1397 - 1399
• a: 22.457 ± 0.002 Å
• b: 13.346 ± 0.001 Å
• c: 12.896 ± 0.001 Å
• α: 90°
• β: 113.66 ± 0.01°
• γ: 90°
• Cell volume: 3540.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections: 0.2548
• Weighted residual factors for significantly intense reflections: 0.1682
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No