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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)] = 0.036H-atom parameters constrained
wR(F2) = 0.089  w = 1/[σ2(Fo2) + (0.0331P)2 + 3.1715P] where P = (Fo2 + 2Fc2)/3
S = 1.10(Δ/σ)max = 0.002
2984 reflectionsΔρmax = 0.90 e Å3
253 parametersΔρmin = −0.26 e Å3
Primary atom site location: structure-invariant direct methodsExtinction correction: none