Information card for entry 7030367

Structure parameters

• Formula: C38 H35 B F15 N O2 Si2 Zr
• Calculated formula: C38 H35 B F15 N O2 Si2 Zr
• SMILES: [Zr]123456789%10([cH]%11[cH]4[cH]3[cH]2[cH]1%11)([cH]1[cH]%10[cH]7[cH]6[cH]51)N([Si](C)(C)[O]9C(C)C)[Si](C)(C[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[O]8C(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: 17.6574 ± 0.0016 Å
• b: 19.6319 ± 0.0018 Å
• c: 22.653 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7852.6 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No