Information card for entry 7022159

Structure parameters

• Formula: C53 H74 Lu N3 Si2
• Calculated formula: C53 H74 Lu N3 Si2
• SMILES: [Lu]12([N](c3c(cccc3C(C)C)C(C)C)=Cc3ccccc3N1c1ccccc1C=[N]2c1c(cccc1C(C)C)C(C)C)(C[Si](C)(C)C)C[Si](C)(C)C.c1(ccccc1)C
• Title of publication: Bis(imino)diphenylamido rare-earth metal dialkyl complexes: synthesis, structure, and catalytic activity in living ring-opening ε-caprolactone polymerization and copolymerization with γ-butyrolactone.
• Authors of publication: Du, Gaixia; Wei, Yanling; Zhang, Wei; Dong, Yuping; Lin, Zhengguo; He, Huan; Zhang, Shaowen; Li, Xiaofang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 4
• Pages of publication: 1278 - 1286
• a: 13.3938 ± 0.0008 Å
• b: 18.7363 ± 0.0012 Å
• c: 20.5867 ± 0.0013 Å
• α: 90°
• β: 97.489 ± 0.001°
• γ: 90°
• Cell volume: 5122.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No