Information card for entry 2213679

Structure parameters

• Chemical name: 3-(methylsulfonyl)phenyl-κ^2^C,N}palladium(II)
• Formula: C17 H20 Cl N3 O3 Pd S
• Calculated formula: C17 H20 Cl N3 O3 Pd S
• SMILES: Cl[Pd]1(c2c(N=[N]1c1ccc(cc1)C)c(S(=O)(=O)C)ccc2)[O]=CN(C)C
• Title of publication: Chlorido(<i>N,N</i>-dimethylformamide-κ<i>O</i>){2-(4-methylphenyldiazenyl)-3-(methylsulfonyl)phenyl-κ^2^<i>C</i>,<i>N</i>}palladium(II)
• Authors of publication: Bagchi, Vivek; Bandyopadhyay, Debkumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1614 - m1615
• a: 10.199 ± 0.003 Å
• b: 10.811 ± 0.003 Å
• c: 18.579 ± 0.005 Å
• α: 90°
• β: 103.427 ± 0.004°
• γ: 90°
• Cell volume: 1992.6 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0616
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes