Information card for entry 7711033

Structure parameters

• Formula: C40 H78 Li N4 O2 Si4 Y
• Calculated formula: C40 H78 Li N4 O2 Si4 Y
• SMILES: [Y]1([O]2c3c(C[N]4(CC[N]5(Cc6c([O]1[Li]245)c(cc(c6)C)C)C(C)(C)C)C(C)(C)C)cc(cc3C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Synthesis and characterization of rare earth/lithium complexes stabilized by ethylenediamine-bridged bis(phenolate) ligands and their activity in catalyzing amidation reactions
• Authors of publication: Ismaeel, Nadia; Zhuo, Zhixing; Imran, Sajid; Yuan, Dan; Yao, Yingming
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 13.91 ± 0.003 Å
• b: 15.955 ± 0.003 Å
• c: 23.692 ± 0.004 Å
• α: 90°
• β: 102.163 ± 0.005°
• γ: 90°
• Cell volume: 5140 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1087
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No