Table 1 X-ray crystallographic refinement details for [H2F]2[Ni3F6(Fpy)12][SbF6]2.
Chemical formula | C60 H52 F32 N12 Ni3 Sb2 |
|---|---|
Formula weight (g mol−1) | 1968.68 |
Crystal system, space group | Trigonal, R-3 |
Temperature (K) | 100(2) |
a, b, c (Å), γ (°) | 14.3617(5), 14.3617(5), 30.9047(11), 120 |
V (Å3) | 5520.4(4) |
Z | 3 |
μ (mm−1) | 1.606 |
Crystal size (mm3) | 0.355 × 0.237 × 0.146 |
No. of measured, independent, observed [F > 4σ(F)] refls. | 30065, 4281, 3865 |
R int | 0.0733 |
R[F > 4σ(F)], Rall, wR, S | 0.0327, 0.0358, 0.0921, 1.045 |
No. of parameters | 233 |
Δρmax, Δρmin (e Å−3) | 0.893, −0.752 |
