Information card for entry 7005288

Structure parameters

• Formula: C32 H66 N3 O3 Si3 Tm
• Calculated formula: C32 H66 N3 O3 Si3 Tm
• SMILES: [Tm]12([N]3=C(OC[C@@H]3C(C)C)C(C3OC[C@@H]([N]1=3)C(C)C)(C1OC[C@@H]([N]2=1)C(C)C)C)(C[Si](C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: High tacticity control in organolanthanide polymerization catalysis: formation of isotactic poly(alpha-alkenes) with a chiral C3-symmetric thulium complex.
• Authors of publication: Lukesová, Lenka; Ward, Benjamin D.; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 9
• Pages of publication: 920 - 922
• a: 10.2419 ± 0.0007 Å
• b: 19.1519 ± 0.0013 Å
• c: 10.3873 ± 0.0007 Å
• α: 90°
• β: 102.053 ± 0.001°
• γ: 90°
• Cell volume: 1992.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No