Information card for entry 4070145

Structure parameters

• Formula: C37 H39 N6 O8 Yb
• Calculated formula: C37 H39 N6 O8 Yb
• SMILES: [Yb]123456789%10([n]%11c(N1C(=O)N(c1ccc(N(=O)=O)cc1)C(Nc1ccc(N(=O)=O)cc1)=[O]2)cccc%11)([cH]1[cH]6[cH]5[cH]4[cH]31)[cH]1[cH]%10[cH]9[cH]8[cH]71.O1CCCC1.O1CCCC1
• 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: 22.705 ± 0.009 Å
• b: 12.349 ± 0.005 Å
• c: 29.169 ± 0.011 Å
• α: 90°
• β: 101.656 ± 0.005°
• γ: 90°
• Cell volume: 8010 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.2043
• Weighted residual factors for all reflections included in the refinement: 0.2383
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No