Information card for entry 4078482

Structure parameters

• Formula: C45 H69 Cl0 Li0 N O P Si2 Y
• Calculated formula: C45 H69 N O P Si2 Y
• SMILES: [C]123C(C(=C([C]4=1C[Y]34(C[Si](C)(C)C)(C[Si](C)(C)C)([N](c1c(cccc1C(C)C)C(C)C)=P2(c1ccccc1)c1ccccc1)[O]1CCCC1)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: 10.5235 ± 0.0013 Å
• b: 12.1911 ± 0.0015 Å
• c: 19.213 ± 0.002 Å
• α: 77.879 ± 0.002°
• β: 83.716 ± 0.002°
• γ: 77.899 ± 0.002°
• Cell volume: 2350.9 ± 0.5 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No