Information card for entry 2211083

Structure parameters

• Chemical name: Bis(methyl 2-pyridylmethylidenedrazinecarbodithioato)nickel(II)
• Formula: C16 H16 N6 Ni S4
• Calculated formula: C16 H16 N6 Ni S4
• SMILES: [Ni]1234(SC(=N[N]2=Cc2[n]1cccc2)SC)SC(=N[N]4=Cc1[n]3cccc1)SC
• Title of publication: Bis(methyl 2-pyridylmethylidenedrazinecarbodithioato)nickel(II)
• Authors of publication: Guo-Bi Li; Mao-Sheng Liu; Qiong-Yan Yu; He-Ping Zeng; Yue-Peng Cai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3115 - m3116
• a: 11.638 ± 0.002 Å
• b: 14.012 ± 0.003 Å
• c: 13.13 ± 0.003 Å
• α: 90°
• β: 105.795 ± 0.011°
• γ: 90°
• Cell volume: 2060.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes