Table 1.
(Et4N)[3] | (Et4N)[4] | 6·DMF | (Bu4N)[8] | (Et4N)[11] | (Et4N)[12] | |
---|---|---|---|---|---|---|
formula | C15H28N2NiS3 | C15H28N2PdS3 | C33H37N7O10S6Ni3 | C23H39N2O2S2BrNi | C18H32N2O3SiS2Ni | C15H24N2O2S3Ni |
M | 391.28 | 438.97 | 1060.19 | 578.30 | 475.38 | 419.25 |
crystal system | monoclinic | monoclinic | monoclinic | monoclinic | triclinic | monoclinic |
space group | Cc | Cc | P21/c | C2/c | P1̄ | P21/n |
a, Å | 11.799(1) | 11.925(2) | 46.973(4) | 13.552(1) | 8.907(1) | 6.966(1) |
b, Å | 12.874(1) | 12.822(2) | 12.405(1) | 22.893(2) | 8.977(1) | 21.928(2) |
c, Å | 12.475(1) | 12.559(2) | 15.338(1) | 9.296(1) | 15.290(1) | 12.270(1) |
α, deg | 90 | 90 | 90 | 90 | 86.703(4) | 90 |
β, deg | 92.029(2) | 92.653(2) | 96.912(1) | 111.464(1) | 76.782(4) | 100.084(1) |
γ, deg | 90 | 90 | 90 | 90 | 85.129(4) | 90 |
V, Å3 | 1893.6(3) | 1918.3(5) | 8872.1(1) | 2684.0(3) | 1185.0(1) | 1845.4(3) |
Z | 4 | 4 | 8 | 4 | 2 | 4 |
μ, mm−1 | 1.351 | 1.290 | 1.602 | 2.389 | 1.065 | 1.400 |
unique data | 2452 | 2758 | 20365 | 3209 | 4181 | 4400 |
observed data [F≥4σ (F)] | 2260 | 2738 | 14330 | 2925 | 2893 | 3735 |
refined parameters | 198 | 198 | 1171 | 145 | 311 | 216 |
R1c, wR2d [F≥4σ(F)] | 0.0279, 0.0481 | 0.0166, 0.0413 | 0.0790, 0.2053 | 0.0306, 0.0790 | 0.0449, 0.1102 | 0.0303, 0.0723 |
R1, wR2 (all data) | 0.0313, 0.0498 | 0.0167, 0.0414 | 0.1067, 0.2231 | 0.0335, 0.0814 | 0.0724, 0.1264 | 0.0377, 0.0772 |
MoKα radiation (λ = 0.71013 Å), 193(2) K.
Salts designated by anion number.
R1 = Σ||Fo| − | Fc||/Σ|Fo|.
wR2 = {Σ[w(Fo2 − Fc2)2/(Fo2)2]}½.