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)] = 0.045 | H-atom parameters constrained |
wR(F2) = 0.121 | w = 1/[σ2(Fo2) + (0.0512P)2 + 1.8936P] where P = (Fo2 + 2Fc2)/3 |
S = 1.05 | (Δ/σ)max < 0.001 |
1948 reflections | Δρmax = 0.55 e Å−3 |
164 parameters | Δρmin = −0.36 e Å−3 |
Primary atom site location: structure-invariant direct methods | Extinction correction: none |