Table 1 Crystallographic parameters, XB distances, angles, RXB and RI>2σ for (tftib)(PPh3), (tftib)(AsPh3) and (tftib)(SbPh3), determined at 103 K

From: Halogen-bonded cocrystallization with phosphorus, arsenic and antimony acceptors

 

(tftib)(PPh3)

(tftib)(AsPh3)

(tftib)(SbPh3)

a (Å)

9.1186(8)

9.1477(8)

9.1863(10)

b (Å)

10.8976(10)

11.0051(9)

11.2726(12)

c (Å)

13.3301(12)

13.3755(12)

13.3561(14)

α (°)

88.147(3)

88.515(3)

89.190(4)

β (°)

72.738(3)

71.685(3)

70.066(4)

γ (°)

76.213(3)

76.816(3)

78.455(4)

dXB,exp (Å)

3.3133(5)

3.4211(3)

3.5747(3)

R XB

0.877

0.893

0.885

C−I···E (o)

165.33(4)

166.02(5)

168.28(6)

RI>2σ (%)

2.66

3.13

3.12

  1. Note: RXB = d(X···Y)/(rX + rY); d(X···Y) is the distance between X and Y in an R−X···Y halogen bond; rX and rY are the respective vdW radii of X and Y22,23