Information card for entry 7030366

Structure parameters

• Common name: Sad357
• Formula: C17 H32 N P Si2 Zr
• Calculated formula: C17 H32 N P Si2 Zr
• SMILES: [Zr]123456789([Si](C)(C)N9[SiH](C)C)([cH]9[cH]4[cH]3[cH]2[cH]19)([cH]1[cH]5[cH]6[cH]7[cH]81)[P](C)(C)C
• Title of publication: Direct hydrosilylation by a zirconacycle with β-hydrogen.
• Authors of publication: Yan, KaKing; Pindwal, Aradhana; Ellern, Arkady; Sadow, Aaron D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 23
• Pages of publication: 8644 - 8653
• a: 9.947 ± 0.003 Å
• b: 8.477 ± 0.002 Å
• c: 12.816 ± 0.003 Å
• α: 90°
• β: 97.646 ± 0.004°
• γ: 90°
• Cell volume: 1071 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No