Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.054 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.153 | H-atom parameters constrained |
S = 1.03 | w = 1/[σ2(Fo2) + (0.0628P)2 + 0.6453P] where P = (Fo2 + 2Fc2)/3 |
3945 reflections | (Δ/σ)max < 0.001 |
211 parameters | Δρmax = 0.64 e Å−3 |
26 restraints | Δρmin = −0.53 e Å−3 |