Information card for entry 4078485

Structure parameters

• Formula: C48 H63 N O P Si2 Y
• Calculated formula: C48 H63 N O P Si2 Y
• SMILES: c1ccc[c]23[c]41[Y]1562([N](=P([c]41[cH]6[cH]35)(c1ccccc1)c1ccccc1)c1c(cccc1C)C)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C.c1(ccccc1)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: 11.5603 ± 0.0006 Å
• b: 12.7372 ± 0.0007 Å
• c: 17.6573 ± 0.001 Å
• α: 78.932 ± 0.001°
• β: 74.166 ± 0.001°
• γ: 71.196 ± 0.001°
• Cell volume: 2352.3 ± 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: 0.0673
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No