Information card for entry 4078479

Structure parameters

• Formula: C41 H61 N O P Si2 Sm
• Calculated formula: C41 H61 N O P Si2 Sm
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Sm]3456(C[Si](C)(C)C)(C[Si](C)(C)C)([N](c3c(cccc3C(C)C)C(C)C)=P2(c1ccccc1)c1ccccc1)[O]1CCCC1
• 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: 10.4379 ± 0.0008 Å
• b: 11.3382 ± 0.001 Å
• c: 18.9312 ± 0.0015 Å
• α: 102.768 ± 0.007°
• β: 103.164 ± 0.006°
• γ: 100.469 ± 0.007°
• Cell volume: 2063.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 0.712
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No