Information card for entry 7062873

Structure parameters

• Common name: The ferrocenyl functionalized half-sandwich scandium bis(o-dimethylaminobenzyl
• Formula: C37 H45 Fe N2 Sc
• Calculated formula: C37 H45 Fe N2 Sc
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[c]8([cH]7[cH]6[cH]51)[c]12[c]3([Sc]45671([N](c1c(C6)cccc1)(C)C)([N](c1c(C7)cccc1)(C)C)[c]2([c]4([c]35C)C)C)C
• Title of publication: Synthesis, characterization and ε-caprolactone polymerization properties of ferrocenyl modified half-sandwich rare-earth metal complexes
• Authors of publication: Li, Min; Zhong, Yi; Luo, Yunjie; Deng, Meng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 48
• Pages of publication: 22299 - 22303
• a: 18.165 ± 0.004 Å
• b: 11.193 ± 0.002 Å
• c: 18.183 ± 0.004 Å
• α: 90°
• β: 108.09 ± 0.03°
• γ: 90°
• Cell volume: 3514.2 ± 1.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.1752
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2087
• Weighted residual factors for all reflections included in the refinement: 0.2344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.294
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No