Information card for entry 4063329

Structure parameters

• Formula: C21 H34 Cl N Si2 Zr
• Calculated formula: C21 H34 Cl N Si2 Zr
• SMILES: [Zr]123456789(Cl)(N([Si]([c]%105[cH]2[cH]4[c]1([cH]3%10)[Si](C)(CC=C)C)(C)C)C(C)(C)C)[cH]1[cH]9[cH]8[cH]7[cH]61
• Title of publication: [(Allylsilyl)(η-amidosilyl)-η5-cyclopentadienyl] Group 4 Metal Complexes: Synthesis, Reactivity, and Olefin Polymerization
• Authors of publication: Cristina Ramos; Pascual Royo; Maurizio Lanfranchi; Maria A. Pellinghelli; Antonio Tiripicchio
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Pages of publication: 445 - 454
• a: 25.8 ± 0.012 Å
• b: 11.597 ± 0.008 Å
• c: 20.893 ± 0.01 Å
• α: 90°
• β: 128.79 ± 0.02°
• γ: 90°
• Cell volume: 4873 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No