Information card for entry 7036896

Structure parameters

• Formula: C55 H71 N6 O Yb
• Calculated formula: C55 H71 N6 O Yb
• SMILES: [Yb]123([N](=C(C)C=C(N1c1c(cccc1)C)C)c1c(cccc1)C)([N](=C(C)C=C(N2c1c(cccc1)C)C)c1c(cccc1)C)[N](=C(N3C1CCCCC1)C1OCCC1)C1CCCCC1
• 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: 11.96635 ± 0.00013 Å
• b: 17.8687 ± 0.0002 Å
• c: 23.4143 ± 0.0003 Å
• α: 90°
• β: 101.064 ± 0.0012°
• γ: 90°
• Cell volume: 4913.46 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0404
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No