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Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.046H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.133  w = 1/[σ2(Fo2) + (0.06P)2 + 0.774P] where P = (Fo2 + 2Fc2)/3
S = 0.96(Δ/σ)max < 0.001
3286 reflectionsΔρmax = 0.21 e Å3
185 parametersΔρmin = −0.22 e Å3
Primary atom site location: structure-invariant direct methodsExtinction correction: none