Information card for entry 1503055

Structure parameters

• Formula: C18 H30 Br2 O2 Pd2
• Calculated formula: C18 H30 Br2 O2 Pd2
• SMILES: [Pd]123([Br][Pd]45([Br]1)[CH]1=[CH]4CC[C@@H](OC)[C@H]5CC1)[CH]1=[CH]2CC[C@H](OC)[C@@H]3CC1
• 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: 10.5941 ± 0.0016 Å
• b: 6.5221 ± 0.0009 Å
• c: 15.431 ± 0.002 Å
• α: 90°
• β: 104.263 ± 0.002°
• γ: 90°
• Cell volume: 1033.4 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No