Information card for entry 2228763

Structure parameters

• Chemical name: <i>cis</i>-(Pyridin-2-ylcarbonimidodithioato- κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphane-κ<i>P</i>)palladium(II)
• Formula: C42 H34 N2 P2 Pd S2
• Calculated formula: C42 H34 N2 P2 Pd S2
• SMILES: [Pd]1(SC(=N\c2ncccc2)/S1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: <i>cis</i>-(Pyridin-2-ylcarbonimidodithioato-κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphane-κ<i>P</i>)palladium(II)
• Authors of publication: Bon, Vladimir V.; Orysyk, Svitlana I.; Pekhnyo, Vasily I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m46
• a: 10.9163 ± 0.001 Å
• b: 12.7235 ± 0.0012 Å
• c: 15.7104 ± 0.0014 Å
• α: 102.609 ± 0.001°
• β: 107.672 ± 0.001°
• γ: 108.567 ± 0.001°
• Cell volume: 1847.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0276
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes