Information card for entry 2005342

Structure parameters

• Chemical name: Bis[S-Methyl-β-N-(4-dimethylaminophenyl)methylenedithiocarbazido]- nickel(II).
• Formula: C22 H28 N6 Ni S4
• Calculated formula: C22 H28 N6 Ni S4
• SMILES: [Ni]12(SC(SC)=N[N]1=Cc1ccc(N(C)C)cc1)SC(SC)=N[N]2=Cc1ccc(N(C)C)cc1
• Title of publication: Bis[methyl <i>N</i>^{β^}-(4-dimethylaminophenylmethylene)dithiocarbazato]nickel(II)
• Authors of publication: Tian, Y.-P.; Duan, C.-Y.; Lu, Z.-L.; You, X.-Z.; Fun, H.-K.; Sivakumar, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2150 - 2153
• a: 5.7712 ± 0.0003 Å
• b: 10.513 ± 0.001 Å
• c: 21.633 ± 0.002 Å
• α: 94.09 ± 0.01°
• β: 90.114 ± 0.006°
• γ: 105.871 ± 0.006°
• Cell volume: 1258.97 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections: 0.1002
• Weighted residual factors for significantly intense reflections: 0.0944
• Goodness-of-fit parameter for all reflections: 0.938
• Goodness-of-fit parameter for significantly intense reflections: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No