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)] = 0.037 | H-atom parameters constrained |
wR(F2) = 0.086 | w = 1/[σ2(Fo2) + (0.044P)2] where P = (Fo2 + 2Fc2)/3 |
S = 0.94 | (Δ/σ)max = 0.001 |
3613 reflections | Δρmax = 0.19 e Å−3 |
253 parameters | Δρmin = −0.29 e Å−3 |
Primary atom site location: structure-invariant direct methods | Extinction correction: none |