Information card for entry 7714545

Structure parameters

• Formula: C36 H52 N3 O Si Y
• Calculated formula: C36 H52 N3 O Si Y
• SMILES: [Y]123([O]4C(Cn5c3c(c3c5cccc3)CCN2C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)CCC4)C[Si](C)(C)C
• Title of publication: Synthesis and catalytic activity of tetradentate β-diketiminato rare-earth metal monoalkyl complexes in tandem Oppenauer oxidation and cross-aldol condensation.
• Authors of publication: Zou, Haiyan; Wang, Ziqian; Guo, Dianjun; Zhang, Lijun; Wang, Shaowu; Zhu, Xiancui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 267 - 275
• a: 11.0699 ± 0.0009 Å
• b: 11.5878 ± 0.0009 Å
• c: 14.7859 ± 0.0012 Å
• α: 87.245 ± 0.001°
• β: 81.827 ± 0.001°
• γ: 79.6 ± 0.001°
• Cell volume: 1846.1 ± 0.3 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No