Information card for entry 4070156

Structure parameters

• Formula: C33 H32 Cl N4 O3 Yb
• Calculated formula: C33 H32 Cl N4 O3 Yb
• SMILES: O1CCCC1.[Yb]123456789%10([n]%11c(N1C(=O)N(c1ccccc1)C(Nc1ccccc1)=[O]2)ccc(Cl)c%11)([cH]1[cH]3[cH]4[cH]%10[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91
• 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: 10.24 ± 0.02 Å
• b: 16.61 ± 0.03 Å
• c: 18.64 ± 0.04 Å
• α: 90°
• β: 91.49 ± 0.02°
• γ: 90°
• Cell volume: 3169 ± 11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No