Information card for entry 4089426

Structure parameters

• Formula: C62 H110 N4 O2 Si4 Y2
• Calculated formula: C62 H110 N4 O2 Si4 Y2
• SMILES: [Y]1(N(C(=CC(=[N]1c1cc(N2[Y]([N](=C(C=C2C)C)c2c(cccc2C)C)([O]2CCCC2)(C[Si](C)(C)C)C[Si](C)(C)C)ccc1)C)C)c1c(cccc1C)C)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C.CCCCCC
• 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: 15.6663 ± 0.0009 Å
• b: 16.3678 ± 0.0009 Å
• c: 17.0806 ± 0.0009 Å
• α: 95.682 ± 0.001°
• β: 106.484 ± 0.001°
• γ: 116.808 ± 0.001°
• Cell volume: 3614.2 ± 0.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 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: 0.1106
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No