Information card for entry 2220924

Structure parameters

• Chemical name: Bis{benzyl <i>N</i>'-[(1<i>H</i>-indol-3-yl)methylene]dithiocarbazato- κ^2^<i>N</i>',<i>S</i>}copper(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Formula: C40 H42 Cu N8 O2 S4
• Calculated formula: C40 H42 Cu N8 O2 S4
• SMILES: c1(ccccc1)CSC1=N[N]([Cu]2(S1)[N](=Cc1c[nH]c3c1cccc3)N=C(S2)SCc1ccccc1)=Cc1c[nH]c2c1cccc2.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Bis{benzyl <i>N</i>'-[(1<i>H</i>-indol-3-yl)methylene]dithiocarbazato-κ^2^<i>N</i>',<i>S</i>}copper(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Authors of publication: Khaledi, Hamid; Mohd Ali, Hapipah; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m139
• a: 10.4461 ± 0.0002 Å
• b: 20.0882 ± 0.0003 Å
• c: 10.8333 ± 0.0002 Å
• α: 90°
• β: 118.366 ± 0.001°
• γ: 90°
• Cell volume: 2000.34 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes