Information card for entry 7709355

Structure parameters

• Formula: C97 H152 Cl Li N9 O7 Si6 Sm3
• Calculated formula: C97 H152 Cl Li N9 O7 Si6 Sm3
• SMILES: [Sm]1234([Cl]5[Sm]67([O]8[Sm]95([O]1C(=[N]9c1c(C(C)C)cccc1C(C)C)c1n3c3c(c1)cccc3)(n1c(C8=[N]6c3c(C(C)C)cccc3C(C)C)cc3c1cccc3)N([Si](C)(C)C)[Si](C)(C)C)([O]2C(c1n7c2c(c1)cccc2)=[N]4c1c(C(C)C)cccc1C(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 and characterization of rare-earth metallate amido complexes bearing 2-amidate-functionalized indolyl ligand and their application in the hydroboration of esters with pinacolborane
• Authors of publication: Wei, Yun; Bao, Qin; Song, Lulu; Hong, Dongjing; Gao, Jianjian; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Mu, Xiaolong
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 19.8895 ± 0.0016 Å
• b: 20.3112 ± 0.0017 Å
• c: 21.6747 ± 0.0018 Å
• α: 67.074 ± 0.001°
• β: 83.823 ± 0.001°
• γ: 61.8 ± 0.001°
• Cell volume: 7075.6 ± 1 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: 0.1265
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No