Information card for entry 2243220

Structure parameters

• Chemical name: Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')zinc(II)
• Formula: C16 H30 N2 O4 Zn
• Calculated formula: C16 H30 N2 O4 Zn
• SMILES: [Zn]123(OC(=CC(=[O]1)C)C)(OC(=CC(=[O]2)C)C)[N](CC[N]3(C)C)(C)C
• Title of publication: Syntheses and crystal structures of three [<i>M</i>(acac)~2~(TMEDA)] complexes (<i>M</i> = Mn, Fe and Zn)
• Authors of publication: Halz, Jan Henrik; Heiser, Christian; Wagner, Christoph; Merzweiler, Kurt
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 1
• Pages of publication: 66 - 71
• a: 10.2335 ± 0.0003 Å
• b: 14.2134 ± 0.0006 Å
• c: 13.6738 ± 0.0005 Å
• α: 90°
• β: 101.208 ± 0.003°
• γ: 90°
• Cell volume: 1950.96 ± 0.12 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes