Information card for entry 2243219

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>')iron(II)
• Formula: C16 H30 Fe N2 O4
• Calculated formula: C16 H30 Fe N2 O4
• SMILES: CC1=CC(C)=[O][Fe]23([N](CC[N]2(C)C)(C)C)(O1)OC(=CC(C)=[O]3)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: 10.2021 ± 0.0003 Å
• b: 15.4708 ± 0.0004 Å
• c: 12.4881 ± 0.0004 Å
• α: 90°
• β: 95.382 ± 0.003°
• γ: 90°
• Cell volume: 1962.37 ± 0.1 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 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: 0.0405
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes