Information card for entry 4081075

Structure parameters

• Formula: C32 H43 N6 Nd
• Calculated formula: C32 H43 N6 Nd
• SMILES: c1(C)ccc(C)n1CCN(c1ccccc1)[Nd]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: 10.1491 ± 0.0018 Å
• b: 10.3206 ± 0.0018 Å
• c: 16.842 ± 0.003 Å
• α: 85.741 ± 0.002°
• β: 81.455 ± 0.002°
• γ: 66.256 ± 0.002°
• Cell volume: 1596.7 ± 0.5 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: 0.0649
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No