Information card for entry 2019861

Structure parameters

• Chemical name: Bis[<i>S</i>-hexyl 3-(4-methylbenzylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II)
• Formula: C30 H42 N4 Pd S4
• Calculated formula: C30 H42 N4 Pd S4
• SMILES: c1cc(C=[N]2N=C(S[Pd]32[N](=Cc2ccc(C)cc2)N=C(S3)SCCCCCC)SCCCCCC)ccc1C
• Title of publication: Crystal structure of bis[S-hexyl 3-(4-methylbenzylidene)dithiocarbazato-κ2N3,S]palladium(II)
• Authors of publication: Begum, M. Sabina; Howlader, M. Belayet Hossain; Sheikh, M. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: m63
• a: 18.3559 ± 0.0011 Å
• b: 9.6747 ± 0.0005 Å
• c: 10.3368 ± 0.0006 Å
• α: 90°
• β: 116.81 ± 0.002°
• γ: 90°
• Cell volume: 1638.37 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.2136
• Weighted residual factors for all reflections included in the refinement: 0.2245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes