Information card for entry 4069125

Structure parameters

• Formula: C39 H64 N3 Nd O Si
• Calculated formula: C39 H63 N3 Nd O Si
• SMILES: [Nd]12([O]3CCCC3)([N](=C(C)C=C(N1CCN2c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)C[Si](C)(C)C
• Title of publication: Monoalkyllanthanide Complexes with New β-Diketiminato Derivative Dianionic Ligands
• Authors of publication: Lu, Erli; Gan, Wei; Chen, Yaofeng
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2318
• a: 11.6481 ± 0.0007 Å
• b: 17.6908 ± 0.0011 Å
• c: 20.6448 ± 0.0014 Å
• α: 90°
• β: 99.281 ± 0.001°
• γ: 90°
• Cell volume: 4198.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.064
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No