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. 2009 May 29;65(Pt 6):m698–m699. doi: 10.1107/S1600536809019163
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)] = 0.069 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.181 H-atom parameters constrained
S = 1.08 w = 1/[σ2(Fo2) + (0.0701P)2 + 9.0268P] where P = (Fo2 + 2Fc2)/3
17260 reflections (Δ/σ)max = 0.002
773 parameters Δρmax = 0.74 e Å3
4 restraints Δρmin = −0.76 e Å3