Information card for entry 4069544

Structure parameters

• Formula: C41 H60 Lu N2 O P Si2
• Calculated formula: C41 H60 Lu N2 O P Si2
• SMILES: [Lu]1([N](=P(N1c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)c1c(cccc1)CC)([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: 20.8625 ± 0.0008 Å
• b: 20.8625 ± 0.0008 Å
• c: 39.386 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17142.5 ± 1.6 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 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: 0.0574
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No