Information card for entry 4070496

Structure parameters

• Formula: C60 H55 P3 Pd Si
• Calculated formula: C60 H55 P3 Pd Si
• SMILES: [Pd]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2[Si](c2c([P]1(c1ccccc1)c1ccccc1)cccc2)(C)CC=C(C)C
• Title of publication: Bis(o-phosphinophenyl)silane as a Scaffold for Dynamic Behavior of H−Si and C−Si Bonds with Palladium(0)
• Authors of publication: Takaya, Jun; Iwasawa, Nobuharu
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 23
• Pages of publication: 6636
• a: 12.462 ± 0.003 Å
• b: 12.602 ± 0.003 Å
• c: 16.283 ± 0.003 Å
• α: 78.139 ± 0.009°
• β: 84.032 ± 0.011°
• γ: 79.523 ± 0.009°
• Cell volume: 2455 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.243
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 0.794
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No