Information card for entry 4101952

Structure parameters

• Formula: C34 H44 O4 Si Zr
• Calculated formula: C34 H44 O4 Si Zr
• SMILES: [Zr]123456789(OC(=C(C)C)OC(C)C)(OC(=C(C)C)OC(C)C)[cH]%10[cH]1[cH]2[c]3([Si]([c]17[c]26cccc[c]52[c]29[c]81cccc2)(C)C)[cH]4%10
• Title of publication: Catalyst-Site-Controlled Coordination Polymerization of Polar Vinyl Monomers to Highly Syndiotactic Polymers
• Authors of publication: Yuetao Zhang; Yalan Ning; Lucia Caporaso; Luigi Cavallo; Eugene Y.-X. Chen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 2695 - 2709
• a: 10.831 ± 0.0004 Å
• b: 12.479 ± 0.0004 Å
• c: 14.1278 ± 0.0005 Å
• α: 90.664 ± 0.002°
• β: 111.403 ± 0.002°
• γ: 113.539 ± 0.002°
• Cell volume: 1601.97 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No