Information card for entry 4319265

Structure parameters

• Formula: C22 H28 N8 Ni2 S4
• Calculated formula: C22 H28 N8 Ni2 S4
• SMILES: [Ni]12(SC(=S)n3[n]1c(cc3C)C)[n]1n([Ni]3(SC(=S)n4[n]3c(cc4C)C)[n]3n2c(cc3C)C)c(cc1C)C
• Title of publication: Bis(3,5-dimethylpyrazole-1-carbodithioato) Nickel(II) and Its Transformation to a Dinuclear Complex: Crystal Structure of [Ni2(μ-3,5-Me2Pz)2(L1)2] (L1= 3,5-dimethylpyrazole-1-carbodithioate)
• Authors of publication: Sami Mukhopadhyay; Uday Mukhopadhyay; Thomas C. W. Mak; Debashis Ray
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1057 - 1059
• a: 8.748 ± 0.002 Å
• b: 13.575 ± 0.003 Å
• c: 23.378 ± 0.005 Å
• α: 90°
• β: 94.81 ± 0.03°
• γ: 90°
• Cell volume: 2766.5 ± 1.1 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: 0.1699
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections: 0.3274
• Weighted residual factors for significantly intense reflections: 0.201
• Goodness-of-fit parameter for all reflections: 1.45
• Goodness-of-fit parameter for significantly intense reflections: 1.543
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No