Information card for entry 2006956

Structure parameters

• Formula: C18 H20 Cu N6 O2 S2
• Calculated formula: C18 H20 Cu N6 O2 S2
• SMILES: S1[Cu]2([N](=Cc3ccc(cc3)OC)N=C1N)[N](=Cc1ccc(cc1)OC)N=C(N)S2
• Title of publication: Bis(4-methoxybenzaldehyde thiosemicarbazonato-<i>S</i>,<i>N</i>^4^)copper(II)
• Authors of publication: Duan, Chun-ying; You, Xiao-Zeng; T.C.W. Mak
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 31 - 33
• a: 12.504 ± 0.003 Å
• b: 5.575 ± 0.001 Å
• c: 14.45 ± 0.002 Å
• α: 90°
• β: 102.3 ± 0.01°
• γ: 90°
• Cell volume: 984.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0593
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections: 0.1321
• Weighted residual factors for significantly intense reflections: 0.1196
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No