Information card for entry 4070159

Structure parameters

• Formula: C34 H50 N6 O2 P Yb
• Calculated formula: C34 H50 N6 O2 P Yb
• SMILES: [Yb]123456789([O]=C(N1c1ncccc1)Nc1c(cccc1C(C)C)C(C)C)([O]=P(N(C)C)(N(C)C)N(C)C)([cH]1[cH]9[cH]2[cH]3[cH]41)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Lanthanide-Induced Diinsertion of Isocyanates into the N−H Bond: Synthesis, Structure, and Reactivity of Organolanthanides Containing Diureido Ligands
• Authors of publication: Sun, Yan; Zhang, Zhengxing; Wang, Xu; Li, Xiaoqing; Weng, Linhong; Zhou, Xigeng
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 21
• Pages of publication: 6320
• a: 10.197 ± 0.004 Å
• b: 17.159 ± 0.007 Å
• c: 21.392 ± 0.009 Å
• α: 78.462 ± 0.007°
• β: 82.731 ± 0.007°
• γ: 89.997 ± 0.007°
• Cell volume: 3637 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2634
• Residual factor for significantly intense reflections: 0.1321
• Weighted residual factors for significantly intense reflections: 0.2945
• Weighted residual factors for all reflections included in the refinement: 0.3479
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No