Information card for entry 4119380

Structure parameters

• Formula: C63 H58 B O3 P3 Pd Si
• Calculated formula: C63 H58 B O2.5 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: 24.922 ± 0.003 Å
• b: 13.0423 ± 0.0012 Å
• c: 34.076 ± 0.004 Å
• α: 90°
• β: 100.461 ± 0.0017°
• γ: 90°
• Cell volume: 10892 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No