Information card for entry 1543042

Structure parameters

• Chemical name: Bis[<i>S</i>-hexyl (<i>E</i>)-3-(4-methoxybenzylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II)
• Formula: C30 H42 N4 O2 Pd S4
• Calculated formula: C30 H42 N4 O2 Pd S4
• SMILES: [Pd]12([N](N=C(S1)SCCCCCC)=Cc1ccc(OC)cc1)SC(=N[N]2=Cc1ccc(OC)cc1)SCCCCCC
• Title of publication: Bis[<i>S</i>-hexyl (<i>E</i>)-3-(4-methoxybenzylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>]palladium(II)
• Authors of publication: Zangrando, E.; Begum, M. S.; Howlader, M. B. H.; Sheikh, M. C.; Miyatake, R.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 4
• Pages of publication: x160521
• a: 4.54371 ± 0.00018 Å
• b: 11.6697 ± 0.0006 Å
• c: 15.5677 ± 0.0008 Å
• α: 90.8429 ± 0.0014°
• β: 98.1733 ± 0.0018°
• γ: 100.344 ± 0.0011°
• Cell volume: 803.11 ± 0.07 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes