Information card for entry 2213660

Structure parameters

• Chemical name: Chlorido{4-chloro-1-[2-(methylsulfanyl)phenyldiazenyl]phenyl -κ^3^C,N,S}palladium(II)
• Formula: C13 H10 Cl2 N2 Pd S
• Calculated formula: C13 H10 Cl2 N2 Pd S
• SMILES: c1cc(cc2[Pd]3([S](C)c4c([N]3=Nc12)cccc4)Cl)Cl
• Title of publication: Chlorido{4-chloro-1-[2-(methylsulfanyl)phenyldiazenyl]phenyl-κ^3^<i>C</i>,<i>N</i>,<i>S</i>}palladium(II)
• Authors of publication: Bagchi, Vivek; Das, Purak; Bandyopadhyay, Debkumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1704 - m1704
• a: 7.413 ± 0.002 Å
• b: 8.768 ± 0.003 Å
• c: 11.051 ± 0.003 Å
• α: 105.33 ± 0.004°
• β: 92.875 ± 0.005°
• γ: 95.995 ± 0.005°
• Cell volume: 686.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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 all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes