Information card for entry 4078478

Structure parameters

• Formula: C41 H61 N O P Si2 Y
• Calculated formula: C41 H61 N O P Si2 Y
• SMILES: [Y]12345([O]6CCCC6)([N](=P(c6ccccc6)([c]64[cH]1[cH]5[cH]3[cH]26)c1ccccc1)c1c(C(C)C)cccc1C(C)C)(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: 10.4412 ± 0.0006 Å
• b: 11.3389 ± 0.0007 Å
• c: 18.9326 ± 0.0011 Å
• α: 103.153 ± 0.001°
• β: 103.292 ± 0.001°
• γ: 100.4 ± 0.001°
• Cell volume: 2059.1 ± 0.2 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No