Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.050 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.145 | All H-atom parameters refined |
S = 1.00 | w = 1/[σ2(Fo2) + (0.0759P)2] where P = (Fo2 + 2Fc2)/3 |
3487 reflections | (Δ/σ)max = 0.004 |
190 parameters | Δρmax = 0.56 e Å−3 |
0 restraints | Δρmin = −0.39 e Å−3 |