Information card for entry 7711036

Structure parameters

• Formula: C44 H82 Li N4 Nd O2 Si4
• Calculated formula: C44 H82 Li N4 Nd O2 Si4
• SMILES: [Nd]1(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[O]2c3c(C)cc(cc3C[N]3(CC[N]4(Cc5c([O]1[Li]234)c(cc(c5)C)C)C1CCCCC1)C1CCCCC1)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: 12.118 ± 0.002 Å
• b: 24.77 ± 0.005 Å
• c: 18.258 ± 0.003 Å
• α: 90°
• β: 95.962 ± 0.005°
• γ: 90°
• Cell volume: 5450.7 ± 1.7 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.1197
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No