Information card for entry 2243542

Structure parameters

• Chemical name: Tris(diphenylamido-κ<i>N</i>)bis(tetrahydrofuran-κ<i>O</i>)yttrium(III)
• Formula: C44 H46 N3 O2 Y
• Calculated formula: C44 H46 N3 O2 Y
• SMILES: [Y]([O]1CCCC1)([O]1CCCC1)(N(c1ccccc1)c1ccccc1)(N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and crystallographic characterization of diphenylamide rare-earth metal complexes <i>Ln</i>(NPh~2~)~3~(THF)~2~ and [(Ph~2~N)~2~<i>Ln</i>(μ-NPh~2~)]~2~
• Authors of publication: Palumbo, Chad T.; Kotyk, Christopher M.; Ziller, Joseph W.; Evans, William J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 9
• Pages of publication: 1447 - 1453
• a: 15.3539 ± 0.0009 Å
• b: 12.5259 ± 0.0007 Å
• c: 20.2511 ± 0.0012 Å
• α: 90°
• β: 107.207 ± 0.001°
• γ: 90°
• Cell volume: 3720.4 ± 0.4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• 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: 0.0408
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes