Information card for entry 2243546

Structure parameters

• Chemical name: Bis(μ-diphenylamido-κ^2^<i>N</i>:<i>N</i>)bis[μ-1κ<i>N</i>:2(η^6^)-diphenylamido]tetrakis(diphenylamido-κ<i>N</i>)di-μ~3~-oxido-tetraerbium(III) benzene disolvate
• Formula: C108 H92 Er4 N8 O2
• Calculated formula: C108 H92 Er4 N8 O2
• SMILES: [Er]1([N](c2ccccc2)(c2ccccc2)[Er]2(N(c3ccccc3)c3ccccc3)([O]1[Er]1(N(c3ccccc3)c3ccccc3)(N(c3ccccc3)c3ccccc3)[N](c3ccccc3)(c3ccccc3)[Er](N(c3ccccc3)c3ccccc3)[O]21)N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1.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: 12.8857 ± 0.0008 Å
• b: 13.6846 ± 0.0009 Å
• c: 13.7411 ± 0.0009 Å
• α: 61.3447 ± 0.0008°
• β: 82.7796 ± 0.001°
• γ: 83.0804 ± 0.001°
• Cell volume: 2104.4 ± 0.2 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 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: 0.0317
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes