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. 2017 Oct 12;73(Pt 6):1032–1042. doi: 10.1107/S2052520617011490

Table 2. Cavity volumes occupied by the water of crystallization.

  Complete structure Water deleted          
  Void volume (%) Void volume (Å3) Void volume (%) Void volume (Å3) ‘Cavity’ size (Å) Z Refined occupancy Volume per water (Å3) Volume per asymmetric unit (Å3)
(1b) 2.6 97.98 4.5 166.74 68.74 8 0.5 17.19 8.59
(1aβ) 6.4 90.86 9.8 139.7 48.84 4 0.25 12.21 12.21
(1aα) 12.1 180.85 15.7 234.23 53.38 4 1 13.35 13.35