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'Thermal Motion Analysis' in keywords Facet   Publication Year 1996  [X]
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1Author    Ferdinand BelajRequires cookie*
 Title    Struktur von C2C16N4P2, dem R eaktionsprodukt von D icyandiam id mit PC15 Structure of C 2C16N4P2, the Reaction Product of Dicyandiamide with PC15  
 Abstract    The reaction product of dicyanodiamide with PC15 (1:2) is 2,2,4-trichloro-2,2-dihydro-6-trichlorophosphazeno-1.3,5,2A5-triazaphosphorine and not 2.4,6-trichloro-2,2-dihydro-2-trichlorophosphazeno-l,3,5,2A5-triazaphosphorine as reported in the literature. This is con­ firmed by an X-ray structure determination at 90K: Space group P 2,/c, a = 17.258(5), b = 9.664(3), c = 15.070(4) Ä, ß = 114.05(2)°, Z = 8, R = 3.99%. Both molecules of the asymmetric unit show about the same conformation with approximate C s-m -symmetry as was also obtai­ ned by semi-empirical MNDO calculations. The thermal motion analysis establishes that the molecules cannot be described as 'rigid bodies', and that the easy deformability of the exocyclic C-N-P angles allows the 'rigid' NPC13 tetrahedra to perform almost isotropic librations. 
  Reference    Z. Naturforsch. 51b, 1428—1432 (1996); eingegangen am 20. Februar 1996 
  Published    1996 
  Keywords    2, 24-Trichloro-2, 2-dihydro-6-trichlorophosphazeno-l, 3, 5, 2A5-triazaphosphorine Phosphaze­ ne, Crystal Structure, Thermal Motion Analysis 
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 TEI-XML for    default:Reihe_B/51/ZNB-1996-51b-1428.pdf 
 Identifier    ZNB-1996-51b-1428 
 Volume    51