Information card for entry 2022870

Structure parameters

• Chemical name: <i>trans</i>-Bis{(2<i>E</i>)-<i>N</i>-phenyl-2-[(2<i>E</i>)-3-phenyl-2-propen-1-ylidene]hydrazinecarbothioamidato-κ^2^<i>N</i>^1^,<i>S</i>}palladium(II)
• Formula: C32 H28 N6 Pd S2
• Calculated formula: C32 H28 N6 Pd S2
• SMILES: C(/C=C/c1ccccc1)=[N]1[Pd]2([N](=C/C=C/c3ccccc3)N=C(Nc3ccccc3)S2)SC(=N1)Nc1ccccc1
• Title of publication: Synthesis, crystal structure and Hirshfeld analysis of <i>trans</i>-bis-{(2<i>E</i>)-<i>N</i>-phenyl-2-[(2<i>E</i>)-3-phenyl-2-propen-1-yl-idene]hydrazinecarbo-thio-amidato-κ²<i>N</i>¹,<i>S</i>}palladium(II).
• Authors of publication: de Melo, Ana Paula Lopes; Martins, Bianca Barreto; Bresolin, Leandro; Tirloni, Bárbara; de Oliveira, Adriano Bof
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 11
• Pages of publication: 993 - 998
• a: 15.084 ± 0.005 Å
• b: 11.418 ± 0.004 Å
• c: 17.097 ± 0.006 Å
• α: 90°
• β: 91.097 ± 0.009°
• γ: 90°
• Cell volume: 2944.1 ± 1.8 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.036
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes