Information card for entry 4078481

Structure parameters

• Formula: C33 H40 N P
• Calculated formula: C33 H40 N P
• SMILES: P(c1ccccc1)(=Nc1c(C(C)C)cccc1C(C)C)(C1=C(C(=C(C1C)C)C)C)c1ccccc1
• 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: 20.2622 ± 0.001 Å
• b: 10.6935 ± 0.0005 Å
• c: 27.7835 ± 0.0014 Å
• α: 90°
• β: 106.818 ± 0.001°
• γ: 90°
• Cell volume: 5762.5 ± 0.5 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No