Information card for entry 4073640

Structure parameters

• Formula: C32 H66 Er N3 O3 Si3
• Calculated formula: C32 H66 Er N3 O3 Si3
• SMILES: C12C3(C)C4=[N]([C@H](CO4)C(C)C)[Er](C[Si](C)(C)C)(C[Si](C)(C)C)(C[Si](C)(C)C)([N]=1[C@H](CO2)C(C)C)[N]1=C3OC[C@@H]1C(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: 10.2557 ± 0.0006 Å
• b: 19.0994 ± 0.0011 Å
• c: 10.3659 ± 0.0006 Å
• α: 90°
• β: 102.011 ± 0.001°
• γ: 90°
• Cell volume: 1986 ± 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: 0.0408
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No