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  On the Solvent-free Structure of a Jäger-type Cobalt(II) N2O2-Chelate

Seidel, R. W., Goddard, R., Breidung, J., & Jäger, E.-G. (2014). On the Solvent-free Structure of a Jäger-type Cobalt(II) N2O2-Chelate. Zeitschrift für anorganische und allgemeine Chemie, 640(10), 1946-1952. doi:10.1002/zaac.201400237.

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 Creators:
Seidel, Rüdiger W.1, Author              
Goddard, Richard1, Author              
Breidung, Jürgen2, Author              
Jäger, Ernst-G.3, Author
Affiliations:
1Service Department Lehmann (EMR), Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445625              
2Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590              
3Institut für Anorganische und Analytische Chemie, Friedrich-Schiller-Universität Jena, August-Bebel-Straße 2, 07743 Jena, Germany, ou_persistent22              

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Free keywords: Chelates; Cobalt; N,O-ligands; Structure elucidation; Density functional theory (DFT) calculations
 Abstract: A combined synchrotron X-ray and density functional theory (DFT) study on the structure of a Jäger-type N2O2 chelate complex was carried out. The ethoxy-substituted bis(3-oxo-enaminato)cobalt(II) complex (1) was an original sample from the laboratory of the late Professor Ernst-G. Jäger (University of Jena, Germany). Single-crystal X-ray analysis revealed essentially flat molecules of 1, which are unsolvated and coordinatively unsaturated. The DFT calculations on the isolated molecule predict a planar structure for the non-hydrogen atoms, which is a local minimum on the energy surface. The crystal packing is achieved through off-set stacking (staircase arrangement), resulting in a herringbone pattern in the space group P212121. The structure of 1 is compared to known structures of related bis(3-oxo-enaminato)cobalt(II) complexes (2–4). Original bulk material of 1 was investigated by scanning electron microscopy (SEM), powder X-ray diffraction (PXRD), melting point determination, and infrared (IR) spectroscopy.

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Language(s): eng - English
 Dates: 2014-07-162014-08
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1002/zaac.201400237
 Degree: -

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Title: Zeitschrift für anorganische und allgemeine Chemie
  Other : Journal of Inorganic and General Chemistry
  Other : J. Inorg. Gen Chem.
  Abbreviation : Z. Anorg. Allg. Chem.
Source Genre: Journal
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Publ. Info: Weinheim : Wiley-VCH
Pages: - Volume / Issue: 640 (10) Sequence Number: - Start / End Page: 1946 - 1952 Identifier: ISSN: 0044-2313
CoNE: https://pure.mpg.de/cone/journals/resource/954925453895