Table 3. Default ‘bond radii’ of the atoms from the ‘extended organic set’.

These are consensus values taken from Cordero et al. (2008 ▸), Pyykkö & Atsumi (2009a ▸,b ▸) and from the website http://periodictable.com/Properties/A/CovalentRadius.v.log.html. The values from these sources were adjusted to make sure that the molecular geometries of all validated structures from the COD could be reproduced.

Bonds	C	N	O	S	P	B	Se	H
Covalent radius (Å)	0.76	0.70	0.68	1.02	1.05	0.83	1.22	0.32