Information card for entry 4078488

Structure parameters

• Formula: C48 H63 Lu N O2 P Si2
• Calculated formula: C48 H63 Lu N O2 P Si2
• SMILES: c12ccccc1c1ccccc1C12[Lu](C[Si](C)(C)C)(C[Si](C)(C)C)([N](c2ccc(cc2)C)=P1(c1ccccc1)c1ccccc1)[O]1CCCC1.C1CCCO1
• Title of publication: Phosphazene-Functionalized Cyclopentadienyl and Its Derivatives Ligated Rare-Earth Metal Alkyl Complexes: Synthesis, Structures, and Catalysis on Ethylene Polymerization
• Authors of publication: Jian, Zhongbao; Petrov, Alex R.; Hangaly, Noa K.; Li, Shihui; Rong, Weifeng; Mou, Zehuai; Rufanov, Konstantin A.; Harms, Klaus; Sundermeyer, Jörg; Cui, Dongmei
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 11
• Pages of publication: 4267
• a: 20.4246 ± 0.0011 Å
• b: 12.2682 ± 0.0006 Å
• c: 20.6234 ± 0.0011 Å
• α: 90°
• β: 115.967 ± 0.001°
• γ: 90°
• Cell volume: 4646 ± 0.4 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No