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)] = 0.037 | Hydrogen site location: difference Fourier map |
wR(F2) = 0.083 | All H-atom parameters refined |
S = 1.04 | w = 1/[σ2(Fo2) + (0.030P)2 + 4.781P] where P = (Fo2 + 2Fc2)/3 |
3391 reflections | (Δ/σ)max = 0.001 |
190 parameters | Δρmax = 1.14 e Å−3 |
0 restraints | Δρmin = −1.82 e Å−3 |