GEOM - BONDS

BONDS sig(bond length) limit dmax dmin

Makes a publication listing of bond lengths, with e.s.d. in the least significant digits in parentheses. The first parameter is the desired upper limit of the e.s.d. for controlling the automatic rounding of the bond lengths according to precision, the default limit being 10. Bonds are defined as distances up to the sum of the covalent radii (obtained from the crystal model file or system databank file), unless dmax is given. In that case bonds are distances up to dmax, or between dmin and dmax if dmin is given.