Information card for entry 7036898

Structure parameters

• Formula: C57 H77 N8 Yb
• Calculated formula: C57 H77 N8 Yb
• SMILES: [Yb]123([N](=C(C)C=C(N1c1c(cccc1)C)C)c1c(cccc1)C)([N](=C(NC1CCCCC1)N2C1CCCCC1)c1ccccc1)[N](=C(NC1CCCCC1)N3c1ccccc1)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: 12.4002 ± 0.0004 Å
• b: 24.5649 ± 0.0008 Å
• c: 20.7771 ± 0.0008 Å
• α: 90°
• β: 121.754 ± 0.002°
• γ: 90°
• Cell volume: 5381.6 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• 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: 0.1049
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No