. 2019 Mar 11;75(Pt 4):432–437. doi: 10.1107/S2056989019003190

Table 2. Hydrogen-bond geometry (Å, °, electrons, kcal mol⁻¹) for [NaRb₂(C₆H₅O₇)(H₂O)₂].

D—H⋯A′	D—H	H⋯A	D⋯A	D—H⋯A	Mulliken overlap	H-bond energy
O23—H27⋯O15	0.986	1.755	2.721	165.6	0.064	13.8
O23—H26⋯O14ⁱ	0.974	1.934	2.833	152.2	0.041	11.1
O22—H25⋯O14ⁱⁱ	0.979	1.762	2.708	161.4	0.055	12.8
O22—H24⋯O13	0.980	1.779	2.718	159.0	0.053	12.6
O17—H18⋯O13	0.987	1.705	2.613	151.0	0.066	14.0
C4—H9⋯O13ⁱⁱ	1.096	2.402	3.374	147.0	0.016

Symmetry code: (i) − Inline graphic + x, − y, z; (ii) x, y, −1 + z; (iii) 1 − x, 1 − y, + z.

Table 2. Hydrogen-bond geometry (Å, °, electrons, kcal mol−1) for [NaRb2(C6H5O7)(H2O)2].