Information card for entry 2232554

Structure parameters

• Chemical name: <i>trans</i>-Bromido(pyrimidinyl-κ<i>C</i>^5^)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)c1cncnc1
• Title of publication: <i>trans</i>-Bromido(pyrimidinyl-κ<i>C</i>^5^)bis(triphenylphosphane-κ<i>P</i>)palladium(II)
• Authors of publication: Wang, Hsiao-Fen; Zeng, Weng-Feng; Lee, Gene-Hsiang; Yih, Kuang-Hway
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1820
• a: 15.0953 ± 0.001 Å
• b: 12.0379 ± 0.0008 Å
• c: 19.8066 ± 0.0013 Å
• α: 90°
• β: 109.748 ± 0.0013°
• γ: 90°
• Cell volume: 3387.5 ± 0.4 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: 0.0824
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes