Information card for entry 4069277

Structure parameters

• Formula: C43 H65 Cl3 La N9 O
• Calculated formula: C43 H65 Cl3 La N9 O
• SMILES: [La]123([O]4CCCC4)([N](=C(N1C(C)C)NC(C)C)c1ccc(Cl)cc1)([N](=C(N2C(C)C)NC(C)C)c1ccc(Cl)cc1)[N](=C(N3C(C)C)NC(C)C)c1ccc(Cl)cc1
• Title of publication: Trisguanidinate Lanthanide Complexes: Syntheses, Structures, and Catalytic Activity for Mild Amidation of Aldehydes with Amines
• Authors of publication: Qian, Cunwei; Zhang, Xingmin; Li, Junmei; Xu, Fan; Zhang, Yong; Shen, Qi
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 13
• Pages of publication: 3856
• a: 10.463 ± 0.002 Å
• b: 13.118 ± 0.002 Å
• c: 17.912 ± 0.003 Å
• α: 80.505 ± 0.004°
• β: 89.947 ± 0.004°
• γ: 86.812 ± 0.005°
• Cell volume: 2421 ± 0.7 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: 0.0483
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No