Information card for entry 2020540

Structure parameters

• Common name: hexakis(diphenylacetato)-bis(1,2-dimethoxyethane)-di-yttrium
• Chemical name: Tetrakis(μ-2,2-diphenylacetato)-κ^4^<i>O</i>:<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[(1,2-dimethoxyethane-κ^2^<i>O</i>,<i>O</i>')(2,2-diphenylacetato-κ^2^<i>O</i>,<i>O</i>')yttrium(III)]
• Formula: C92 H86 O16 Y2
• Calculated formula: C92 H86 O16 Y2
• SMILES: O1[Y]23456([O](CC[O]2C)C)(OC(C(c2ccccc2)c2ccccc2)=[O]3)[O]=C([O]5[Y]2357([O]=C1C(c1ccccc1)c1ccccc1)(OC(C(c1ccccc1)c1ccccc1)=[O]2)([O]=C([O]67)C(c1ccccc1)c1ccccc1)([O]=C([O]34)C(c1ccccc1)c1ccccc1)[O](C)CC[O]5C)C(c1ccccc1)c1ccccc1
• 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: 11.4292 ± 0.0017 Å
• b: 21.371 ± 0.003 Å
• c: 16.335 ± 0.003 Å
• α: 90°
• β: 102.37 ± 0.005°
• γ: 90°
• Cell volume: 3897.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0714
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes