Information card for entry 2022753

Structure parameters

• Chemical name: Bis(μ-4-<i>tert</i>-butoxy-4-oxobut-2-en-2-olato)bis[(4-<i>tert</i>-butoxy-4-oxobut-2-en-2-olato)ethanolzinc(II)]
• Formula: C36 H64 O14 Zn2
• Calculated formula: C36 H64 O14 Zn2
• Title of publication: Crystal structure and Hirshfeld surface analysis of bis-(μ-4-<i>tert</i>-but-oxy-4-oxobut-2-en-2-olato)bis-[(4-<i>tert</i>-but-oxy-4-oxobut-2-en-2-olato)ethano-lzinc(II)].
• Authors of publication: Shtokvysh, Olherd O.; Dyakonenko, Viktoriya V.; Koval, Lyudmila I.; Pekhnyo, Vasyl I.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 5
• Pages of publication: 478 - 481
• a: 9.1689 ± 0.0005 Å
• b: 22.8882 ± 0.001 Å
• c: 11.0743 ± 0.0005 Å
• α: 90°
• β: 103.043 ± 0.005°
• γ: 90°
• Cell volume: 2264.09 ± 0.19 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0902
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes