Information card for entry 7056744

Structure parameters

• Formula: C20 H24 N6 Ni S2
• Calculated formula: C20 H24 N6 Ni S2
• SMILES: c1(ccccc1)NC1=N[N](=C(C)C)[Ni]2(S1)[N](=C(C)C)N=C(Nc1ccccc1)S2
• Title of publication: Square planar Ni(II) complexes of acetone N4-phenyl-thiosemicarbazone and in situ generated benzoyl thiosemicarbazide ligand: Synthesis, spectral and structural characterizations, thermal behaviour and electrochemical studies
• Authors of publication: Bharty, M. K.; Paswan, Santosh; Bharati, P.; Sonkar, Piyush Kumar; Ganesan, Vellaichamy; Butcher, Raymond J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2017
• a: 23.403 ± 0.002 Å
• b: 7.6265 ± 0.0005 Å
• c: 12.2279 ± 0.0009 Å
• α: 90°
• β: 96.569 ± 0.007°
• γ: 90°
• Cell volume: 2168.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No