Information card for entry 7706120

Structure parameters

• Formula: C37 H48 N2 O P Sc Si2
• Calculated formula: C37 H48 N2 O P Sc Si2
• SMILES: [Sc]12([P](c3c(N2c2c(C4OCC([N]1=4)(C)C)cccc2)cccc3)(c1ccccc1)c1ccccc1)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Unsymmetrical diarylamido-based rare-earth alkyl complexes: their synthesis and catalytic performance in isoprene polymerization.
• Authors of publication: Ren, Wenhui; Liu, Hui; You, Fen; Mao, Pengjuan; So, Yat-Ming; Kang, Xiaohui; Shi, Xiaochao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 1334 - 1343
• a: 10.8334 ± 0.0003 Å
• b: 28.3891 ± 0.0008 Å
• c: 13.0622 ± 0.0004 Å
• α: 90°
• β: 109.673 ± 0.001°
• γ: 90°
• Cell volume: 3782.79 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No