Information card for entry 4081072

Structure parameters

• Formula: C42 H51 N6 Nd
• Calculated formula: C42 H51 N6 Nd
• SMILES: c1(ccc(C)n1CCN(c1ccccc1)[Nd](N(c1ccccc1)CCn1c(C)ccc1C)N(CCn1c(ccc1C)C)c1ccccc1)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: 10.4579 ± 0.0018 Å
• b: 11.2161 ± 0.0019 Å
• c: 17.663 ± 0.003 Å
• α: 79.498 ± 0.002°
• β: 89.236 ± 0.002°
• γ: 67.474 ± 0.002°
• Cell volume: 1878 ± 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: 0.0733
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No