Information card for entry 7045560

Structure parameters

• Formula: C54 H82 Er N5 Si
• Calculated formula: C54 H82 Er N5 Si
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N]1=C(C=C(C)N(CCn2c(C)ccc2C)[Er]21(C[Si](C)(C)C)N(c1c(cccc1C(C)C)C(C)C)C=[N]2c1c(cccc1C(C)C)C(C)C)C
• Title of publication: Versatile reactivities of rare-earth metal dialkyl complexes supported by a neutral pyrrolyl-functionalized β-diketiminato ligand.
• Authors of publication: Zhu, Xiancui; Li, Yang; Guo, Dianjun; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 3947 - 3957
• a: 12.637 ± 0.003 Å
• b: 12.882 ± 0.003 Å
• c: 17.262 ± 0.003 Å
• α: 84.376 ± 0.002°
• β: 87.531 ± 0.002°
• γ: 76.72 ± 0.002°
• Cell volume: 2721.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No