Information card for entry 2243543

Structure parameters

• Chemical name: Tris(diphenylamido-κ<i>N</i>)bis(tetrahydrofuran-κ<i>O</i>)erbium(III)
• Formula: C44 H46 Er N3 O2
• Calculated formula: C44 H46 Er N3 O2
• 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: 12.0946 ± 0.0005 Å
• b: 19.1086 ± 0.0008 Å
• c: 16.3609 ± 0.0007 Å
• α: 90°
• β: 91.3697 ± 0.0005°
• γ: 90°
• Cell volume: 3780.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0504
• 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