Information card for entry 7016455

Structure parameters

• Formula: C55 H47 Ni P3 Si
• Calculated formula: C55 H47 Ni P3 Si
• SMILES: [Ni]12([P](c3ccccc3)(c3c([Si](c4c([P]1(c1ccccc1)c1ccccc1)cccc4)(C)[H]2)cccc3)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Reaction of bis(o-phosphinophenyl)silane with M(PPh(3))(4) (M = Ni, Pd, Pt): synthesis and structural analysis of η(2)-(Si-H) metal(0) and pentacoordinate silyl metal(ii) hydride complexes of the Ni triad bearing a PSiP-pincer ligand.
• Authors of publication: Takaya, Jun; Iwasawa, Nobuharu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 35
• Pages of publication: 8814 - 8821
• a: 12.2584 ± 0.0004 Å
• b: 18.3081 ± 0.0008 Å
• c: 19.6284 ± 0.0008 Å
• α: 91.3972 ± 0.0013°
• β: 90.1161 ± 0.0012°
• γ: 90.9045 ± 0.0012°
• Cell volume: 4403.3 ± 0.3 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173.1 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 significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No