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Table 1 Crystal data and structure refinement details for compounds 10 and 13

From: Design, synthesis and structural studies of meta-xylyl linked bis-benzimidazolium salts: potential anticancer agents against ‘human colon cancer’

  10.Br 13.PF6
Formula C36H32Br2N4 C28H32F12N4P2
Formula Weight 680.48 714.52
Crystal System Triclinic Monoclinic
Space group P ī Cc
a, b, c [Å] 11.0707(3), 11.3028(3), 14.8929(3) 16.2520(9), 12.0683(7), 16.2980(9)
α, β, ϒ [deg] 84.963(1), 75.975(1), 87.924(1) 90, 103.064(10), 90
V [Ang**3] 1800.80(8) 3152.2(3)
Z 2 4
D(calc)[g/cm**3] 1.255 1.506
Mu(MoKa)[/mm] 2.278 0.236
F(000) 692 1464
Crystal Size[mm] 0.56 × 0.45 × 0.29 0.58× 0.36 × 0.30
Temperature (K) 90(2) 293(2)
Radiation [Å] MoKa 0.71073 MoKa 0.71073
θ Min – Max [Deg] 1.41 – 28.95 2.11 – 30.070
Dataset −15:15;−15:15;−20 :20 −23:23;−16:16;−22:22
Tot.; Uniq. Data 33351 32572
R(int) 0.0308 0.0225
Nref;Npar 9480; 379 2023; 585
R, wR2, S 0.0472, 0.1376, 1.076 0.0226, 0.1293, 1.029