Information card for entry 4069279

Structure parameters

• Formula: C39 H96 N9 Nd Si6
• Calculated formula: C39 H96 N9 Nd Si6
• SMILES: [Nd]123([N](=C(N1C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(C)C)([N](=C(N2C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(C)C)[N](=C(N3C(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(C)C
• 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: 14.607 ± 0.002 Å
• b: 23.159 ± 0.003 Å
• c: 17.262 ± 0.003 Å
• α: 90°
• β: 97.433 ± 0.002°
• γ: 90°
• Cell volume: 5790.4 ± 1.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0725
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No