Information card for entry 2018893

Structure parameters

• Chemical name: Bis(μ-2-ethoxyphenolato)-κ^3^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1^;κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^-bis[(2-ethoxyphenolato-κ^2^<i>O</i>^1^,<i>O</i>^2^)(pyridine-κ<i>N</i>)zinc(II)] toluene hemisolvate
• Formula: C45.5 H50 N2 O8 Zn2
• Calculated formula: C45.5 H50 N2 O8 Zn2
• Title of publication: A dinuclear zinc complex containing a diamond-core geometry: [Zn~2~(μ~2~-GueO)~2~(GueO)~2~(py)~2~]·0.5(toluene) (GueOH is guethol)
• Authors of publication: Petrus, Rafał; Sobota, Piotr
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: 372 - 375
• a: 10.151 ± 0.003 Å
• b: 13.063 ± 0.004 Å
• c: 16.297 ± 0.005 Å
• α: 81.37 ± 0.02°
• β: 74.2 ± 0.03°
• γ: 85.95 ± 0.04°
• Cell volume: 2054.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0408
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes