. 2020 Apr 15;59(9):6255–6266. doi: 10.1021/acs.inorgchem.0c00370

Table 5. Interatomic O···O Distances and O2–H Bond Distance (Å) of the Relevant Hydrogen Bonds in NiSO₄·H₂O According to the Crystallographic Data Given in Supporting Information (Table S4)^a.

pressure/atoms	10^–4 GPa^b	0.6 GPa	2.3 GPa	4.5 GPa	8.4 GPa (P1̅)	8.4 GPa (P1̅) disordered
O3···O2(A)	2.673(2)	2.674(5)	2.647(6)	2.617(9)	2.592 (9)	2.577(9)
O3···O2B(1/2)	2.673(2)	2.674(5)	2.647(6)	2.616(7)	2.579(6)	2.529(37)	2.556(18)
O3···O1(A)	3.374(2)	3.357(5)	3.296(5)	3.436(8)	3.470(8)	3.470 (7)
O3···O1B				3.016(7)	2.852(7)	2.851(6)
O2(A)–H	1.96(3)	1.71(14)	1.80(13)	1.76(7)	1.757(6)^c	1.756(6)^c
O2B(1/2)–H	1.96(3)	1.71(14)	1.80(13)	1.67(7)	1.901(7)^c	1.895(25)^c	1.895(25)^c

Constraints in P1̅ (disordered) as stated for Table 3.

Data from Giester and Wildner.¹⁵

Low shown error, due to fixed hydrogen position.

Table 5. Interatomic O···O Distances and O2–H Bond Distance (Å) of the Relevant Hydrogen Bonds in NiSO4·H2O According to the Crystallographic Data Given in Supporting Information (Table S4)a.