Information card for entry 4085170

Structure parameters

• Formula: C69 H126 N15 Nd3 Si6
• Calculated formula: C69 H126 N15 Nd3 Si6
• SMILES: [c]12(C)[cH]3[cH]4[c]5(C)[n]16CCN(CCn1c(ccc1C)C)[Nd]123456([N]#C[Nd]23456([cH]7[cH]3[c]4(C)[n]5([c]67C)CCN2CCn2c(ccc2C)C)(N([Si](C)(C)C)[Si](C)(C)C)[N]#C[Nd]23456([cH]7[cH]3[c]4(C)[n]5([c]67C)CCN2CCn2c(ccc2C)C)(N([Si](C)(C)C)[Si](C)(C)C)[N]#C1)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Synthesis, Characterization, and Reactivity of Lanthanide Amides Incorporating Neutral Pyrrole Ligand. Isolation and Characterization of Active Catalyst for Cyanosilylation of Ketones
• Authors of publication: Wang, Fenhua; Wei, Yun; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Yang, Gaosheng; Gu, Xiaoxia; Zhang, Guangchao; Mu, Xiaolong
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 86
• a: 22.56 ± 0.0007 Å
• b: 22.56 ± 0.0007 Å
• c: 30.006 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13225.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No