Information card for entry 2021232

Structure parameters

• Chemical name: Dichlorido-1κ<i>Cl</i>,2κ<i>Cl</i>-μ-methanolato-1:2κ^2^<i>O</i>:<i>O</i>-methanol-2κ<i>O</i>-(μ-2-{[(2-methoxyphenyl)imino]methyl}phenolato-1κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^:2κ<i>O</i>^1^)bis(2-{[(2-methoxyphenyl)imino]methyl}phenolato)-1κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^;2κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^-diyttrium‒tetrahydrofuran‒methanol (1/1/1)
• Formula: C49 H55 Cl2 N3 O10 Y2
• Calculated formula: C49 H55 Cl2 N3 O10 Y2
• SMILES: [Y]12345(Cl)(Oc6ccccc6C=[N]1c1ccccc1[O]2C)[O]([Y]12(Oc6ccccc6C=[N]1c1ccccc1[O]2C)(Cl)([O]5C)[OH]C)c1ccccc1C=[N]3c1ccccc1[O]4C.OC.O1CCCC1
• 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: 18.7839 ± 0.0014 Å
• b: 13.3371 ± 0.0009 Å
• c: 20.1422 ± 0.0014 Å
• α: 90°
• β: 107.107 ± 0.001°
• γ: 90°
• Cell volume: 4822.8 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes