Information card for entry 7229072

Structure parameters

• Formula: C42 H68 N5 Nd Si2
• Calculated formula: C42 H68 N5 Nd Si2
• SMILES: [C@H]12CCCC[C@@H]1[N]1=C(C)C=C(C)N(c3c(cccc3CC)CC)[Nd]31([N]2=C(C)C=C(C)N3c1c(cccc1CC)CC)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Synthesis, characterization and catalytic activity of rare-earth metal amides incorporating cyclohexyl bridged bis(β-diketiminato) ligands
• Authors of publication: Miao, Hui; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Wei, Yun; Yuan, Qingbing; Mu, Xiaolong
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 68
• Pages of publication: 42792
• a: 12.4507 ± 0.0011 Å
• b: 16.3478 ± 0.0015 Å
• c: 22.55 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4589.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No