Figure 1
Comparison of the X—H bond lengths from X-ray and neutron data refinement at (a) maximum and (b) 0.8 Å resolution for the selected 75 structures. Hydrogen atoms were refined with isotropic displacement parameters for X-ray data. The X—H bond lengths obtained from the 75 structures were categorized, averaged and compared with the averaged neutron lengths as defined previously (Allen & Bruno, 2010). Additional O—H bonds in water molecules trapped in these structures were also included and the corresponding neutron lengths were taken from Woińska et. al. (2016). HAR bond lengths for the 81 structures were taken from Woińska et al. (2016). The layout of this figure follows the one proposed in Fig. 2 of the article by Woińska et al. (2016). The bars in the figure show the SSDs of each associated bond type. |