Information card for entry 7710928

Structure parameters

• Formula: C97 H152 Cl Li N9 Nd3 O7 Si6
• Calculated formula: C97 H152 Cl Li N9 Nd3 O7 Si6
• SMILES: [Nd]1234([Cl]5[Nd]67([O]1C(=[N]6c1c(cccc1C(C)C)C(C)C)c1n3c3c(c1)cccc3)([O]1[Nd]35([O]2C(=[N]4c2c(cccc2C(C)C)C(C)C)c2n3c3c(c2)cccc3)([N](=C1c1n7c2c(c1)cccc2)c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.[O]1(CCCC1)[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis of rare-earth metal complexes with a morpholine-functionalized β-diketiminato ligand and their catalytic activities towards C–O and C–N bond formation
• Authors of publication: Zhu, Xiancui; He, Jinqiang; Yang, Yuanqing; Zhou, Shuangliu; Wei, Yun; Wang, Shaowu
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 19.8695 ± 0.0014 Å
• b: 20.1675 ± 0.0014 Å
• c: 21.5072 ± 0.0015 Å
• α: 68.2219 ± 0.001°
• β: 84.2175 ± 0.001°
• γ: 61.4812 ± 0.0009°
• Cell volume: 7001.2 ± 0.9 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1627
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.2029
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No