Information card for entry 4066088

Structure parameters

• Formula: C59 H92 Al4 La2 N2
• Calculated formula: C59 H92 Al4 La2 N2
• SMILES: [La]1234567([CH3][Al]([CH3]1)(C)C)([CH3][Al]([CH3]2)(C)C)[n]1cccc2cccc(c12)[c]15[c]6([c]7([c]3([c]41C)C)C)C.c1c(cccc1)C
• Title of publication: Bis(tetramethylaluminate) Complexes of Yttrium and Lanthanum Supported by a Quinolyl-Substituted Cyclopentadienyl Ligand: Synthesis and Performance in Isoprene Polymerization
• Authors of publication: Litlabø, Rannveig; Enders, Markus; Törnroos, Karl W.; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2588
• a: 13.095 ± 0.002 Å
• b: 14.972 ± 0.003 Å
• c: 17.56 ± 0.003 Å
• α: 79.541 ± 0.003°
• β: 89.481 ± 0.003°
• γ: 64.988 ± 0.003°
• Cell volume: 3059.2 ± 0.9 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: 0.1099
• Residual factor for significantly intense reflections: 0.1036
• Weighted residual factors for significantly intense reflections: 0.2484
• Weighted residual factors for all reflections included in the refinement: 0.2533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No