Information card for entry 2241673

Structure parameters

• Chemical name: Bis(acetophenone 4-benzoylthiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>)nickel(II)
• Formula: C32 H28 N6 Ni O2 S2
• Calculated formula: C32 H28 N6 Ni O2 S2
• SMILES: [Ni]12(SC(=N[N]1=C(c1ccccc1)C)NC(=O)c1ccccc1)SC(=N[N]2=C(c1ccccc1)C)NC(=O)c1ccccc1
• Title of publication: Crystal structure of bis(acetophenone 4-benzoylthiosemicarbazonato-κ^2^<i>N</i>^1^,<i>S</i>)nickel(II)
• Authors of publication: Karim, Faraidoon Karim; Shamsuddin, Mustaffa; Rosli, Mohd Mustaqim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 5
• Pages of publication: 760 - 763
• a: 10.22 ± 0.003 Å
• b: 15.468 ± 0.005 Å
• c: 19.151 ± 0.006 Å
• α: 90°
• β: 92.15 ± 0.005°
• γ: 90°
• Cell volume: 3025.3 ± 1.6 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• 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: 0.0665
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes