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

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