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. Author manuscript; available in PMC: 2010 Jul 6.
Published in final edited form as: Inorg Chem. 2009 Jul 6;48(13):6159–6166. doi: 10.1021/ic900494u

Table 1.

Crystallographic Dataa for compounds (Et4N)[3], (Et4N)[4], 6·DMF, (Bu4N)[8], AND (Et4N)[11, 12].b

(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 P 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
a

MoKα radiation (λ = 0.71013 Å), 193(2) K.

b

Salts designated by anion number.

c

R1 = Σ||Fo| − | Fc||/Σ|Fo|.

d

wR2 = {Σ[w(Fo2Fc2)2/(Fo2)2]}½.