Information card for entry 4069547

Structure parameters

• Formula: C38 H55 Lu N3 O P Si2
• Calculated formula: C38 H55 Lu N3 O P Si2
• SMILES: [Lu]12([N](=P(N1c1[n]2cccc1)(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C
• 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: 20.7807 ± 0.0006 Å
• b: 20.7807 ± 0.0006 Å
• c: 38.349 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16560.5 ± 1.1 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No