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 |