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)] = 0.051 | Hydrogen site location: difference Fourier map |
wR(F2) = 0.167 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.14 | w = 1/[σ2(Fo2) + (0.0959P)2] where P = (Fo2 + 2Fc2)/3 |
14856 reflections | (Δ/σ)max = 0.006 |
787 parameters | Δρmax = 1.40 e Å−3 |
12 restraints | Δρmin = −1.14 e Å−3 |