Refinement on F2 | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.030 | Hydrogen site location: difference Fourier map |
wR(F2) = 0.079 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.11 | w = 1/[σ2(Fo2) + (0.0445P)2 + 0.3065P] where P = (Fo2 + 2Fc2)/3 |
2789 reflections | (Δ/σ)max = 0.001 |
176 parameters | Δρmax = 0.54 e Å−3 |
8 restraints | Δρmin = −0.24 e Å−3 |
Primary atom site location: structure-invariant direct methods |