Information card for entry 2018644

Structure parameters

• Chemical name: bis(μ~3~-2-ethoxyphenolato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^: <i>O</i>^1^)bis(μ~2~-2-ethoxyphenolato-κ^3^<i>O</i>^1^,<i>O</i>^2^: <i>O</i>^1^)bis(μ~2~-2-methyl-4-oxo-4<i>H</i>-pyran-3-olato- κ^3^<i>O</i>^3^,<i>O</i>^4^:<i>O</i>^3^)bis(2-methyl-4-oxo-4<i>H</i>- pyran-3-olato-κ^2^<i>O</i>^3^,<i>O</i>^4^)tetrazinc(II) toluene disolvate
• Formula: C70 H72 O20 Zn4
• Calculated formula: C70 H72 O20 Zn4
• Title of publication: Two tetranuclear zinc clusters, [Zn~4~(μ~3~-OEt)~2~(μ~2~-MalO)~4~Et~2~] and [Zn~4~(μ~3~-GueO)~2~(μ~2~-GueO)~2~(μ~2~-MalO)~2~(MalO)~2~]·2C~7~H~8~, containing defective dicubane core geometries (MalOH is maltol and GueOH is guethol)
• Authors of publication: Petrus, Rafał; Sobota, Piotr
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m275 - m280
• a: 10.715 ± 0.003 Å
• b: 12.578 ± 0.003 Å
• c: 12.794 ± 0.004 Å
• α: 92.97 ± 0.03°
• β: 110.48 ± 0.03°
• γ: 97.61 ± 0.03°
• Cell volume: 1592.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0728
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes