Information card for entry 2207879

Structure parameters

• Chemical name: Chloro(4-methyl piperidine-1-dithiocarbamato-κ^2^S:S')(triphenylphosphine-κP)palladium(II)
• Formula: C25 H27 Cl N P Pd S2
• Calculated formula: C25 H27 Cl N P Pd S2
• SMILES: N1(C2=[S][Pd]([P](c3ccccc3)(c3ccccc3)c3ccccc3)(Cl)S2)CCC(CC1)C
• Title of publication: Chloro(4-methylpiperidine-1-dithiocarbamato-κ^2^<i>S</i>:<i>S</i>')(triphenylphosphine-κ<i>P</i>)palladium(II)
• Authors of publication: Shaheen, Farkhanda; Najam-Ul-Haq, Muhammad; Wurst, Klaus; Badshah, Amin; Ali, Saqib
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m136 - m137
• a: 10.1668 ± 0.0003 Å
• b: 13.8325 ± 0.0004 Å
• c: 17.8608 ± 0.0004 Å
• α: 90°
• β: 90.162 ± 0.002°
• γ: 90°
• Cell volume: 2511.79 ± 0.12 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes