Table 1. Hydrogen-bond geometry (Å, °, electrons, kcal mol−1) for [Li2K(C6H5O7)].
| D—H⋯A′ | D—H | H⋯A | D⋯A | D—H⋯A | Mulliken overlap | H-bond energy |
|---|---|---|---|---|---|---|
| O17—H18⋯O14 | 0.987 | 1.786 | 2.662 | 145.8 | 0.065 | 13.9 |
| C4—H10⋯O15 | 1.090 | 2.516 | 2.770 | 91.6 | 0.010 |
| D—H⋯A′ | D—H | H⋯A | D⋯A | D—H⋯A | Mulliken overlap | H-bond energy |
|---|---|---|---|---|---|---|
| O17—H18⋯O14 | 0.987 | 1.786 | 2.662 | 145.8 | 0.065 | 13.9 |
| C4—H10⋯O15 | 1.090 | 2.516 | 2.770 | 91.6 | 0.010 |