Information card for entry 4081074

Structure parameters

• Formula: C32 H43 La N6
• Calculated formula: C32 H43 La N6
• SMILES: c1ccccc1N(CCn1c(C)ccc1C)[La]12(n3cccc3C=[N]1C(C)(C)C)n1cccc1C=[N]2C(C)(C)C
• Title of publication: Novel Lanthanide Amides Incorporating Neutral Pyrrole Ligand in a Constrained Geometry Architecture: Synthesis, Characterization, Reaction, and Catalytic Activity
• Authors of publication: Wang, Fenhua; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Miao, Hui; Gu, Xiaoxia; Wei, Yun; Yuan, Qingbing
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 14
• Pages of publication: 3920
• a: 10.143 ± 0.002 Å
• b: 10.307 ± 0.002 Å
• c: 16.905 ± 0.004 Å
• α: 85.596 ± 0.003°
• β: 81.225 ± 0.003°
• γ: 66.324 ± 0.003°
• Cell volume: 1599.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No