Information card for entry 7030364

Structure parameters

• Formula: C17 H29 N O Si Zr
• Calculated formula: C17 H29 N O Si Zr
• SMILES: [Zr]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)([cH]1[cH]8[cH]7[cH]6[cH]51)(N([SiH](C)C)C(C)(C)C)OC
• 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: 8.5855 ± 0.0013 Å
• b: 13.622 ± 0.002 Å
• c: 32.542 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3805.8 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.122
• Weighted residual factors for significantly intense reflections: 0.2888
• Weighted residual factors for all reflections included in the refinement: 0.294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No