Information card for entry 2220197

Structure parameters

• Chemical name: Bis[benzyl <i>N</i>'-(1<i>H</i>-indol-3-ylmethylene)hydrazinecarbodithioato- κ^2^<i>N</i>',<i>S</i>]nickel(II) <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Formula: C40 H42 N8 Ni O2 S4
• Calculated formula: C40 H42 N8 Ni O2 S4
• SMILES: c12c(cccc2)c(c[nH]1)C=[N]1[Ni]2(SC(=N1)SCc1ccccc1)[N](=Cc1c3c(cccc3)[nH]c1)N=C(S2)SCc1ccccc1.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Bis[benzyl <i>N</i>'-(1<i>H</i>-indol-3-ylmethylene)hydrazinecarbodithioato-κ^2^<i>N</i>',<i>S</i>]nickel(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: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1615
• a: 10.3808 ± 0.0003 Å
• b: 20.0219 ± 0.0007 Å
• c: 10.7831 ± 0.0003 Å
• α: 90°
• β: 117.921 ± 0.002°
• γ: 90°
• Cell volume: 1980.31 ± 0.11 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: 0.0607
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes