Information card for entry 2218734

Structure parameters

• Chemical name: <i>cis</i>-Bis(<i>N</i>-benzoyl-<i>N</i>',<i>N</i>'-dibenzylthioureato- κ^2^<i>O</i>,<i>S</i>)nickel(II)
• Formula: C44 H38 N4 Ni O2 S2
• Calculated formula: C44 H38 N4 Ni O2 S2
• SMILES: [Ni]12([S]=C(N(Cc3ccccc3)Cc3ccccc3)N=C(O1)c1ccccc1)[S]=C(N=C(O2)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
• Title of publication: <i>cis</i>-Bis(<i>N</i>-benzoyl-<i>N</i>',<i>N</i>'-dibenzylthioureato-κ^2^<i>O</i>,<i>S</i>)nickel(II)
• Authors of publication: Pérez, Hiram; Corrêa, Rodrigo S.; Duque, Julio; Plutín, Ana M.; O'Reilly, Beatriz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m916
• a: 5.5645 ± 0.0001 Å
• b: 19.7873 ± 0.0007 Å
• c: 33.859 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3728.09 ± 0.18 ų
• Cell temperature: 294 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes