Information card for entry 2021229

Structure parameters

• Chemical name: Tris(2-{[(2-methoxyphenyl)imino]methyl}phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')lanthanum
• Formula: C42 H36 La N3 O6
• Calculated formula: C42 H36 La N3 O6
• SMILES: [La]1234(Oc5ccccc5C=[N]1c1ccccc1[O]2C)(Oc1ccccc1C=[N]3c1ccccc1OC)Oc1ccccc1C=[N]4c1ccccc1OC
• 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: 8.0705 ± 0.0018 Å
• b: 12.588 ± 0.003 Å
• c: 19.096 ± 0.004 Å
• α: 79.209 ± 0.005°
• β: 86.351 ± 0.005°
• γ: 73.384 ± 0.005°
• Cell volume: 1826 ± 0.7 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: 0.0787
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes