Information card for entry 2241011

Structure parameters

• Chemical name: (Piperidine-1-carbodithioato-κ^2^<i>S</i>,<i>S</i>)[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)
• Formula: C17 H18 N2 Pd S2
• Calculated formula: C17 H18 N2 Pd S2
• SMILES: c1cccc2c3c([Pd]4([n]12)[S]=C(N1CCCCC1)S4)cccc3
• Title of publication: Crystal structure of (piperidine-1-carbodithioato-κ^2^<i>S</i>,<i>S</i>)[2-(pyridin-2-yl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]palladium(II)
• Authors of publication: Kondrashov, Mikhail; Fleckhaus, André; Gritcenko, Roman; Wendt, Ola F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: m166
• a: 24.078 ± 0.0009 Å
• b: 8.5585 ± 0.0002 Å
• c: 26.6841 ± 0.001 Å
• α: 90°
• β: 113.514 ± 0.004°
• γ: 90°
• Cell volume: 5042.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes