Information card for entry 4324903

Structure parameters

• Formula: C52 H83 N2 O3 Yb
• Calculated formula: C52 H83 N2 O3 Yb
• SMILES: [Yb](Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)[N](=C=NC(C)C)C(C)C
• Title of publication: Activation of Carbodiimide and Transformation with Amine to Guanidinate Group by Ln(OAr)3(THF)2 (Ln: Lanthanide and Yttrium) and Ln(OAr)3(THF)2 as a Novel Precatalyst for Addition of Amines to Carbodiimides: Influence of Aryloxide Group
• Authors of publication: Yang Cao; Zhu Du; Wenbo Li; Junmei Li; Yong Zhang; Fan Xu; Qi Shen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3729 - 3737
• a: 15.5373 ± 0.0012 Å
• b: 17.9224 ± 0.0013 Å
• c: 18.563 ± 0.0015 Å
• α: 90°
• β: 103.976 ± 0.002°
• γ: 90°
• Cell volume: 5016.1 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No