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. 2009 Aug 22;65(Pt 9):m1119–m1120. doi: 10.1107/S160053680903222X
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)] = 0.047 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.134 H-atom parameters constrained
S = 0.98 w = 1/[σ2(Fo2) + (0.087P)2] where P = (Fo2 + 2Fc2)/3
3647 reflections (Δ/σ)max < 0.001
204 parameters Δρmax = 1.81 e Å3
32 restraints Δρmin = −1.39 e Å3