Information card for entry 7036900

Structure parameters

• Formula: C46 H58 N4 O2 Yb
• Calculated formula: C46 H58 N4 O2 Yb
• SMILES: [Yb]12([O]3CCCC3)(N(C(=CC(=[N]1c1c(cccc1)C)C)C)c1c(cccc1)C)N(C(=CC(=[N]2c1c(cccc1)C)C)C)c1c(cccc1)C.O1CCCC1
• Title of publication: Catalytic addition of amines to carbodiimides by bis(β-diketiminate)lanthanide(ii) complexes and mechanistic studies.
• Authors of publication: Xue, Mingqiang; Zheng, Yu; Hong, Yubiao; Yao, Yingming; Xu, Fan; Zhang, Yong; Shen, Qi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 20075 - 20086
• a: 12.149 ± 0.002 Å
• b: 21.676 ± 0.004 Å
• c: 16.55 ± 0.003 Å
• α: 90°
• β: 93.252 ± 0.006°
• γ: 90°
• Cell volume: 4351.3 ± 1.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No