Information card for entry 2204345

Structure parameters

• Formula: C12 H22 O6 Zn
• Calculated formula: C12 H22 O6 Zn
• SMILES: CC1=[O][Zn]2(OC(=C1)C)([OH]C)(OC(=CC(=[O]2)C)C)[OH]C
• Title of publication: Bis(acetylacetonato)dimethanolzinc(II)
• Authors of publication: Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1468 - m1469
• a: 5.2986 ± 0.0007 Å
• b: 7.4809 ± 0.001 Å
• c: 10.4575 ± 0.0015 Å
• α: 69.184 ± 0.01°
• β: 81.385 ± 0.011°
• γ: 75.485 ± 0.011°
• Cell volume: 374.25 ± 0.09 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: 0.0255
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes