Information card for entry 4069542

Structure parameters

• Formula: C44 H66 Lu N2 O2 P Si2
• Calculated formula: C44 H66 Lu N2 O2 P Si2
• Title of publication: Highly 3,4-Selective Polymerization of Isoprene with NPN Ligand Stabilized Rare-Earth Metal Bis(alkyl)s. Structures and Performances
• Authors of publication: Li, Shihui; Cui, Dongmei; Li, Danfeng; Hou, Zhaomin
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 16
• Pages of publication: 4814
• a: 11.7732 ± 0.0006 Å
• b: 11.9312 ± 0.0006 Å
• c: 18.347 ± 0.001 Å
• α: 108.264 ± 0.001°
• β: 91.925 ± 0.001°
• γ: 102.514 ± 0.001°
• Cell volume: 2374.8 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No