Information card for entry 1503054

Structure parameters

• Formula: C36 H67 Br P2 Pd
• Calculated formula: C36 H67 Br P2 Pd
• SMILES: [PdH](Br)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: A highly efficient, practical, and general route for the synthesis of (R3P)2Pd(0): structural evidence on the reduction mechanism of Pd(II) to Pd(0).
• Authors of publication: Li, Hongbo; Grasa, Gabriela A.; Colacot, Thomas J.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 15
• Pages of publication: 3332 - 3335
• a: 13.092 ± 0.008 Å
• b: 12.645 ± 0.008 Å
• c: 23.224 ± 0.016 Å
• α: 90°
• β: 106.336 ± 0.009°
• γ: 90°
• Cell volume: 3689 ± 4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No