On the method of assessing the number of atoms in the unit cell of an organic crystal

Srinivasan, R. ; Rajan, S. S. (1975) On the method of assessing the number of atoms in the unit cell of an organic crystal Acta Crystallographica Section B, 31 . pp. 331-332. ISSN 0108-7681

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Official URL: http://scripts.iucr.org/cgi-bin/paper?a11909

Related URL: http://dx.doi.org/10.1107/S0567740875002701

Abstract

It is shown that the rough method of arriving at the number of non-hydrogen atoms from the volume of the unit cell of an organic crystal [Kempster & Lipson (1972). Acta Cryst. B28, 3674] can be improved by including hydrogen atoms. The empirical relation V= 8.9N, where V= volume of the unit cell and N= number of atoms including hydrogen, is arrived at by a least-squares fit of data from 114 compounds.

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