Information card for entry 4089423

Structure parameters

• Formula: C60 H104 N4 O2 Si4 Y2
• Calculated formula: C60 H104 N4 O2 Si4 Y2
• SMILES: [Y]1([N](=C(C=C(N1c1cccc(N2[Y]([N](=C(C=C2C)C)c2c(cccc2CC)CC)([O]2CCCC2)(C[Si](C)(C)C)C[Si](C)(C)C)c1)C)C)c1c(cccc1CC)CC)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Binuclear Rare-Earth-Metal Alkyl Complexes Ligated by Phenylene-Bridged β-Diketiminate Ligands: Synthesis, Characterization, and Catalysis toward Isoprene Polymerization
• Authors of publication: Li, Lei; Wu, Chunji; Liu, Dongtao; Li, Shihui; Cui, Dongmei
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 11
• Pages of publication: 3203
• a: 16.2261 ± 0.0014 Å
• b: 20.0967 ± 0.0018 Å
• c: 23.451 ± 0.002 Å
• α: 70.308 ± 0.001°
• β: 83.665 ± 0.002°
• γ: 75.007 ± 0.001°
• Cell volume: 6952.6 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1535
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1433
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No