Information card for entry 2236068

Structure parameters

• Common name: <i>trans</i>-Iodido(pyrazinyl-κ<i>C</i>^2^)bis(triphenylphosphane- κ<i>P</i>)palladium(II)
• Formula: C40 H33 I N2 P2 Pd
• Calculated formula: C40 H33 I N2 P2 Pd
• SMILES: [Pd](I)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1nccnc1
• Title of publication: <i>trans</i>-Iodido(pyrazinyl-κ<i>C</i>^2^)bis(triphenylphosphane-κ<i>P</i>)palladium(II)
• Authors of publication: Tu, Yao-Jen; Wang, Hsiao-Fen; Lee, Gene-Hsiang; Yih, Kuang-Hway; Tang, Xiao-Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1419 - m1420
• a: 21.5786 ± 0.0009 Å
• b: 19.8596 ± 0.0009 Å
• c: 16.9192 ± 0.0008 Å
• α: 90°
• β: 106.695 ± 0.0011°
• γ: 90°
• Cell volume: 6945 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.075
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes