Information card for entry 4078484

Structure parameters

• Formula: C41 H61 Lu N P Si2
• Calculated formula: C41 H61 Lu N P Si2
• SMILES: [Lu]12345([N](c6c(cccc6C(C)C)C(C)C)=P([c]62[c]3([c]4([c]5([c]61C)C)C)C)(c1ccccc1)c1ccccc1)(C[Si](C)(C)C)C[Si](C)(C)C
• 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: 9.9438 ± 0.0006 Å
• b: 10.8071 ± 0.0006 Å
• c: 19.8967 ± 0.0012 Å
• α: 98.062 ± 0.001°
• β: 96.699 ± 0.001°
• γ: 99.546 ± 0.001°
• Cell volume: 2066.2 ± 0.2 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 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: 0.0705
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No