Information card for entry 2311387

Structure parameters

• Chemical name: Bis(<i>N</i>'-{(<i>E</i>)-[(2<i>E</i>)-1,3-diphenylprop-2-en-1-ylidene]amino}-<i>N</i>-ethylcarbamimidothioato-κ^2^<i>N</i>',<i>S</i>)zinc(II)
• Formula: C36 H36 N6 S2 Zn
• Calculated formula: C36 H36 N6 S2 Zn
• SMILES: [Zn]12(SC(=N/[N]1=C(\C=C\c1ccccc1)/c1ccccc1)NCC)SC(NCC)=N/[N]2=C(\C=C\c1ccccc1)c1ccccc1
• Title of publication: Bis(<i>N</i>'-{(<i>E</i>)-[(2<i>E</i>)-1,3-di-phenyl-prop-2-en-1-yl-idene]amino}-<i>N</i>-ethyl-carbamimido-thio-ato-κ²<i>N</i>',<i>S</i>)zinc(II): crystal structure and Hirshfeld surface analysis.
• Authors of publication: Tan, Ming Yueh; Crouse, Karen A.; Ravoof, Thahira B. S. A.; 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 7
• Pages of publication: 1001 - 1008
• a: 38.3604 ± 0.0009 Å
• b: 13.6382 ± 0.0003 Å
• c: 26.3548 ± 0.0006 Å
• α: 90°
• β: 91.069 ± 0.002°
• γ: 90°
• Cell volume: 13785.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0515
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No