Information card for entry 4324905

Structure parameters

• Formula: C54 H81 Cl N3 O3 Y
• Calculated formula: C54 H81 Cl N3 O3 Y
• SMILES: [Y]1(Oc2c(cc(cc2C(C)(C)C)C)C(C)(C)C)(Oc2c(cc(cc2C(C)(C)C)C)C(C)(C)C)([O]2CCCC2)[N](c2ccc(Cl)cc2)=C(N1C(C)C)NC(C)C.c1(ccccc1)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: 9.8439 ± 0.0007 Å
• b: 11.2519 ± 0.0009 Å
• c: 24.409 ± 0.002 Å
• α: 83.406 ± 0.007°
• β: 80.859 ± 0.005°
• γ: 76.62 ± 0.006°
• Cell volume: 2588.2 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0617
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No