Information card for entry 2021231

Structure parameters

• Chemical name: Tris(2-{[(2-methoxyphenyl)imino]methyl}phenolato)-κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^;κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^;κ^2^<i>N</i>,<i>O</i>^1^-yttrium
• Formula: C42 H36 N3 O6 Y
• Calculated formula: C42 H36 N3 O6 Y
• SMILES: [Y]12345(Oc6ccccc6C=[N]1c1ccccc1OC)(Oc1ccccc1C=[N]2c1ccccc1[O]3C)Oc1ccccc1C=[N]4c1ccccc1[O]5C
• 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: 12.1048 ± 0.001 Å
• b: 17.5475 ± 0.0014 Å
• c: 18.7959 ± 0.0015 Å
• α: 114.881 ± 0.001°
• β: 91.885 ± 0.002°
• γ: 99.171 ± 0.001°
• Cell volume: 3553.2 ± 0.5 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: 0.0995
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes