Information card for entry 2213908

Structure parameters

• Chemical name: {Dimethyl [2,2'-(ethane-1,2-diyldioxy)bis(benzylidenehydrazono)]bis(dithioformato)- κ^4^S,N,N',S'}copper(II)
• Formula: C20 H20 Cu N4 O2 S4
• Calculated formula: C20 H20 Cu N4 O2 S4
• SMILES: S1[Cu]23[N](=Cc4ccccc4OCCOc4c(C=[N]2N=C(S3)SC)cccc4)N=C1SC
• Title of publication: {Dimethyl [2,2'-(ethane-1,2-diyldioxy)bis(benzylidenehydrazono)]bis(dithioformato)-κ^4^<i>S</i>,<i>N</i>,<i>N</i>',<i>S</i>'}copper(II)
• Authors of publication: Mei, Guang-Quan; Huang, Ke-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1653 - m1653
• a: 11.634 ± 0.002 Å
• b: 12.983 ± 0.002 Å
• c: 14.908 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2251.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes