Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.048 | H-atom parameters constrained |
wR(F2) = 0.136 | Method = Modified Sheldrick w = 1/[σ2(F2) + (0.07P)2 + 0.99P], where P = [max(Fo2,0) + 2Fc2]/3 |
S = 1.08 | (Δ/σ)max = 0.0003 |
2402 reflections | Δρmax = 0.52 e Å−3 |
136 parameters | Δρmin = −0.47 e Å−3 |
0 restraints |