Information card for entry 4119378

Structure parameters

• Formula: C40 H41 P3 Pd Si
• Calculated formula: C40 H41 P3 Pd Si
• SMILES: [Pd]12([H][Si](C)(c3c([P]1(c1ccccc1)c1ccccc1)cccc3)c1c([P]2(c2ccccc2)c2ccccc2)cccc1)[P](C)(C)C
• 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: 12.801 ± 0.005 Å
• b: 15.247 ± 0.005 Å
• c: 18.462 ± 0.008 Å
• α: 90°
• β: 100.959 ± 0.006°
• γ: 90°
• Cell volume: 3538 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1218
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No