Information card for entry 4073638

Structure parameters

• Formula: C47 H72 Lu N3 O3 Si3
• Calculated formula: C47 H72 Lu N3 O3 Si3
• SMILES: C12C3(C4=[N]([C@H](CO4)C(C)C)[Lu](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: C3-Symmetric Chiral Organolanthanide Complexes: Synthesis, Characterization, and Stereospecific Polymerization of α-Olefins‖
• Authors of publication: Lukešová, Lenka; Ward, Benjamin D.; Bellemin-Laponnaz, Stéphane; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 18
• Pages of publication: 4652
• a: 11.202 ± 0.002 Å
• b: 20.432 ± 0.004 Å
• c: 22.582 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5168.6 ± 1.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0456
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No