Information card for entry 2227716

Structure parameters

• Chemical name: <i>trans</i>-Bromido(pyrimidinyl-κ<i>C</i>^2^)bis(triphenylphosphane- κ<i>P</i>)palladium(II)
• Formula: C40 H33 Br N2 P2 Pd
• Calculated formula: C40 H33 Br N2 P2 Pd
• SMILES: [Pd](Br)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ncccn1
• Title of publication: <i>trans</i>-Bromido(pyrimidinyl-κ<i>C</i>^2^)bis(triphenylphosphane-κ<i>P</i>)palladium(II)
• Authors of publication: Lee, Gene-Hsiang; Wang, Hsiao-Fen; Yih, Kuang-Hway
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1345
• a: 12.1051 ± 0.0008 Å
• b: 12.7791 ± 0.0008 Å
• c: 12.8987 ± 0.0008 Å
• α: 90.257 ± 0.002°
• β: 117.044 ± 0.002°
• γ: 105.58 ± 0.002°
• Cell volume: 1693.11 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.027
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes