Refinement on F2 | Primary atom site location: structure-invariant direct methods |
R[F > 3σ(F)] = 0.038 | Secondary atom site location: difference Fourier map |
wR(F) = 0.086 | Hydrogen site location: difference Fourier map |
S = 1.77 | H atoms treated by a mixture of independent and constrained refinement |
4061 reflections | Weighting scheme based on measured s.u.'s w = 1/(σ2(I) + 0.0004I2) |
258 parameters | (Δ/σ)max = 0.014 |
0 restraints | Δρmax = 0.46 e Å−3 |
52 constraints | Δρmin = −0.23 e Å−3 |