Information card for entry 2021230

Structure parameters

• Chemical name: Tris(2-{[(2-methoxyphenyl)imino]methyl}phenolato-κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^)neodymium tetrahydrofuran disolvate
• Formula: C50 H52 N3 Nd O8
• Calculated formula: C50 H52 N3 Nd O8
• Title of publication: Different coordination modes of <i>trans</i>-2-{[(2-methoxyphenyl)imino]methyl}phenoxide in rare-earth complexes: influence of the metal cation radius and the number of ligands on steric congestion and ligand coordination modes
• Authors of publication: Roitershtein, Dmitrii M.; Minashina, Kseniya I.; Minyaev, Mikhail E.; Ananyev, Ivan V.; Lyssenko, Konstantin A.; Tavtorkin, Alexander N.; Nifant'ev, Ilya E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 1105 - 1115
• a: 11.1951 ± 0.0006 Å
• b: 14.8767 ± 0.0008 Å
• c: 15.1894 ± 0.0008 Å
• α: 69.758 ± 0.001°
• β: 74.797 ± 0.001°
• γ: 69.502 ± 0.001°
• Cell volume: 2194.4 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0331
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes