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. 2022 Mar 29;78(Pt 4):439–444. doi: 10.1107/S2056989022003127

Table 3. A summary of the calculated inter­action energies for the title compound (kJ mol−1).

Please define N and R

N Symop R E_ele E_pol E_dis E_rep E_tot
1 x, −y +  Inline graphic , z +  Inline graphic 14.92 0.6 −0.2 −2.7 0.4 −1.6
0 -x, −y, −z 6.11 −24.1 −4.8 −85.9 77.8 −55.8
0 -x +  Inline graphic , −y, z +  Inline graphic 11.23 −33.2 −7.5 −17.8 38.4 −32.3
1 -x +  Inline graphic , −y, −z +  Inline graphic 7.82 −17.7 −6.2 −44.9 42.1 −36.4
0 -x +  Inline graphic , y +  Inline graphic , z 9.48 −0.7 −1.1 −13.3 8.2 −8.0
0 x +  Inline graphic , −y +  Inline graphic , −z 8.88 −10.8 −3.0 −17.6 14.2 −20.1
0 x, −y +  Inline graphic , z +  Inline graphic 13.01 −0.0 −0.5 −9.9 3.6 −6.8
1 -x, y +  Inline graphic , −z +  Inline graphic 12.22 −0.1 −0.7 −10.2 8.5 −4.2
0 -x, −y, −z 5.85 −11.3 −1.1 −69.5 42.1 −47.3