Information card for entry 4118011

Structure parameters

• Common name: CpZr[C5H4SiMe2NSiHMe2][N(SiHMe2)Bu]
• Formula: C20 H38 N2 Si3 Zr
• Calculated formula: C20 H38 N2 Si3 Zr
• SMILES: [Zr]123456789(N([Si](C)(C)[c]%102[cH]1[cH]5[cH]4[cH]3%10)[SiH](C)C)(N([SiH](C)C)C(C)(C)C)[cH]1[cH]6[cH]7[cH]8[cH]91
• Title of publication: Nonclassical β-Hydrogen Elimination of Hydrosilazido Zirconium Compounds via Direct Hydrogen Transfer
• Authors of publication: KaKing Yan; Arkady Ellern; Aaron D. Sadow
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 9154 - 9156
• a: 16.8361 ± 0.0015 Å
• b: 8.5923 ± 0.0008 Å
• c: 17.1866 ± 0.0016 Å
• α: 90°
• β: 100.354 ± 0.001°
• γ: 90°
• Cell volume: 2445.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No