Information card for entry 7005289

Structure parameters

• Formula: C47 H72 N3 O3 Si3 Tm
• Calculated formula: C47 H72 N3 O3 Si3 Tm
• SMILES: C12C3(C4=[N]([C@H](CO4)C(C)C)[Tm](C[Si](C)(C)c4ccccc4)(C[Si](C)(C)c4ccccc4)(C[Si](C)(C)c4ccccc4)([N]=1[C@H](CO2)C(C)C)[N]1=C3OC[C@@H]1C(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: 11.1678 ± 0.001 Å
• b: 20.3453 ± 0.0018 Å
• c: 22.558 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5125.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0303
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No