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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)] = 0.035H-atom parameters constrained
wR(F2) = 0.094w = 1/[σ2(Fo2) + (0.0542P)2 + 1.1054P] where P = (Fo2 + 2Fc2)/3
S = 1.04(Δ/σ)max < 0.001
2060 reflectionsΔρmax = 0.19 e Å3
166 parametersΔρmin = −0.16 e Å3
0 restraintsExtinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0212 (18)