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)] = 0.070 | H-atom parameters constrained |
wR(F2) = 0.175 | w = 1/[σ2(Fo2) + 4.1563P] where P = (Fo2 + 2Fc2)/3 |
S = 1.12 | (Δ/σ)max = 0.001 |
3765 reflections | Δρmax = 0.80 e Å−3 |
204 parameters | Δρmin = −1.02 e Å−3 |
Primary atom site location: structure-invariant direct methods | Extinction correction: none |