Table 3. Summary of inter­action energies (kJ mol⁻¹) calculated for (I).

R (Å)	E ele	E pol	E dis	E rep	E tot	Symmetry operation
11.06	−142.4	−31.6	−39.9	77.9	−138.4	− x,  + y,  − z
10.68	−89.0	−31.2	−54.8	43.5	−125.0	− x,  + y,  − z
4.87	−50.3	−50.1	−120.3	176.8	−48.9	x, y, z
16.68	22.9	−3.0	−1.8	0.0	19.8	x, y, z
15.95	42.9	−7.4	−7.5	0.8	32.8	x, y, z