Information card for entry 2311357

Structure parameters

• Chemical name: Bis{4-methylbenzyl 2-[4-(propan-2-yl)benzylidene]hydrazinecarbodithioato-κ^2^<i>N</i>^2^,<i>S</i>}nickel(II):
• Formula: C38 H42 N4 Ni S4
• Calculated formula: C38 H42 N4 Ni S4
• SMILES: C1(S[Ni]2([N](=Cc3ccc(cc3)C(C)C)N=1)[N](=Cc1ccc(cc1)C(C)C)N=C(S2)SCc1ccc(C)cc1)SCc1ccc(C)cc1
• Title of publication: Bis{4-methylbenzyl 2-[4-(propan-2-yl)benzyl-idene]hydrazine-carbodi-thio-ato-κ²<i>N</i>²,<i>S</i>}nickel(II): crystal structure and Hirshfeld surface analysis.
• Authors of publication: Yusof, Enis Nadia Md; Ravoof, Thahira B. S. A.; Tahir, Mohamed I. M.; Jotani, Mukesh M.; Tiekink, Edward R. T.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 3
• Pages of publication: 397 - 402
• a: 11.5799 ± 0.0007 Å
• b: 7.391 ± 0.0003 Å
• c: 21.9848 ± 0.0016 Å
• α: 90°
• β: 103.033 ± 0.007°
• γ: 90°
• Cell volume: 1833.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No