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'Chromium Complex' in keywords Facet   Publication Year 1995  [X]
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1Author    Klaus Diem, Thomas Hahn, Wilhelm Kuchen+, DietrichM. Ootz+, WolfgangPeter Poll, TommesRequires cookie*
 Title    Kristallstruktur von (CO)5CrPH2COOH und ab m/r/ö-Berechnung des hypothetischen freien Liganden [H2PCOOH]2 -ein Vergleich Crystal Structure of (C O )5CrPH2CO O H and ab initio Calculation of the Hypothetical Free Ligand [H2PC O O H ] 2 -a Comparison  
 Abstract    Crystal structure analysis of (C O)5CrPH2COOH (a = 1338.2, b = 622.6, c = 1161.5 pm, ß = 96,77°, P 2 1/c, Z = 4, R -0.0330) has shown the complex to be dimerized via hydrogen-bonds of the COOH group. Geom etrical parameters of the hypothetical free ligand [H2PCO O H ]2 were calculated using the HF/3-21 G*, HF/6-31G** and MP2-FU/6-31 G** basis sets. Bond lengths and bond angles o f the calculated free ligand are similar to those derived from the crystal structure analysis of the coordinated ligand and are not significantly influenced by coordination and/or intermolecular interactions. 
  Reference    Z. Naturforsch. 50b, 209 (1995); eingegangen am 7. September 1994 
  Published    1995 
  Keywords    Crystal Structure, Chromium Complex, Phosphinoformic Acid, Hydroxycarbonylphosphine 
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 TEI-XML for    default:Reihe_B/50/ZNB-1995-50b-0209.pdf 
 Identifier    ZNB-1995-50b-0209 
 Volume    50