The crystal structure of pentameric phosphorus nitride dichloride, (PNCl2)5
- 1 January 1968
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in J. Chem. Soc. A
- p. 2317-2325
- https://doi.org/10.1039/j19680002317
Abstract
The crystal structure of pentameric phosphorus nitride dichloride has been determined by three-dimensional, single-crystal X-ray diffraction. The crystals were orthorhombic, space-group P(212121), with unit-cell dimensions a= 15·48, b= 19·44, and c= 6·26 Å and four molecules per unit cell. The structure was solved by use of Patterson superposition methods and a symmetry map generated from the three Harker sections. The positional and anisotropic thermal parameters were refined by least squares to a final agreement factor of R= 7·2% for the 1319 observed reflections. The structure consists of very nearly planar ten-membered rings of alternating phosphorus and nitrogen atoms. The P–Cl distances and Cl–P–Cl and N–P–N angles found are in agreement with those found in other phosphorus nitride chlorides. Shortened P–N distances (average 1·521 Å) and larger P–N–P angles (average 148·6°) are found in this structure, however. In-plane dπ–pπ bonding is used to explain these features and, as well, to explain the trend of the PNCl2 heats of formation in the cyclic phosphorus nitride chlorides.Keywords
This publication has 0 references indexed in Scilit: