Information card for entry 4119381

Structure parameters

• Formula: C49 H52 B O2 P3 Pd Si
• Calculated formula: C49 H52 B O2 P3 Pd Si
• Title of publication: Two Reversible σ-Bond Metathesis Pathways for Boron-Palladium Bond Formation: Selective Synthesis of Isomeric Five-Coordinate Borylpalladium Complexes
• Authors of publication: Naohiro Kirai; Jun Takaya; Nobuharu Iwasawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 2493 - 2496
• a: 18.318 ± 0.004 Å
• b: 11.536 ± 0.002 Å
• c: 21.045 ± 0.005 Å
• α: 90°
• β: 95.183 ± 0.004°
• γ: 90°
• Cell volume: 4429 ± 1.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1602
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No