Information card for entry 2229196

Structure parameters

• Chemical name: Bis{benzyl 3-[(1<i>H</i>-indol-3-yl)methylidene]dithiocarbazato- κ^2^<i>N</i>^3^,<i>S</i>}palladium(II) pyridine disolvate
• Formula: C44 H38 N8 Pd S4
• Calculated formula: C44 H38 N8 Pd S4
• SMILES: c1c(c2ccccc2[nH]1)C=[N]1[Pd]2([N](=Cc3c[nH]c4c3cccc4)N=C(S2)SCc2ccccc2)SC(=N1)SCc1ccccc1.n1ccccc1.n1ccccc1
• Title of publication: Bis{benzyl 3-[(1<i>H</i>-indol-3-yl)methylidene]dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>}palladium(II) pyridine disolvate
• Authors of publication: Khaledi, Hamid; Mohd Ali, Hapipah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m230
• a: 9.9688 ± 0.0002 Å
• b: 10.5041 ± 0.0002 Å
• c: 10.9491 ± 0.0002 Å
• α: 62.534 ± 0.002°
• β: 78.494 ± 0.002°
• γ: 78.985 ± 0.002°
• Cell volume: 990.35 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes