Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.031 | H-atom parameters constrained |
wR(F2) = 0.083 | w = 1/[σ2(Fo2) + (0.0379P)2 + 0.9909P] where P = (Fo2 + 2Fc2)/3 |
S = 1.02 | (Δ/σ)max = 0.001 |
3766 reflections | Δρmax = 0.40 e Å−3 |
211 parameters | Δρmin = −0.23 e Å−3 |
Primary atom site location: structure-invariant direct methods | Extinction correction: none |