Information card for entry 2020541

Structure parameters

• Common name: tris(triphenylacetato)-tetrakis(methanol)-europium methanol disolvate
• Chemical name: Tetrakis(methanol-κ<i>O</i>)tris(2,2,2-triphenylacetato)-κ^4^<i>O</i>:<i>O</i>';κ<i>O</i>-europium(III) methanol disolvate
• Formula: C66 H69 Eu O12
• Calculated formula: C66 H69 Eu O12
• SMILES: [Eu]12([O]=C(O1)C(c1ccccc1)(c1ccccc1)c1ccccc1)([O]=C(O2)C(c1ccccc1)(c1ccccc1)c1ccccc1)(OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)([OH]C)([OH]C)([OH]C)[OH]C.OC.OC
• Title of publication: Di- and triphenylacetate complexes of yttrium and europium
• Authors of publication: Minyaev, Mikhail E.; Vinogradov, Alexandr A.; Roitershtein, Dmitrii M.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Nifant'ev, Ilya E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 7
• Pages of publication: 578 - 584
• a: 13.3716 ± 0.0006 Å
• b: 13.5971 ± 0.0006 Å
• c: 17.7021 ± 0.0007 Å
• α: 93.0794 ± 0.0008°
• β: 92.9949 ± 0.0008°
• γ: 118.475 ± 0.0007°
• Cell volume: 2813.9 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes