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. 2014 Sep 6;70(Pt 10):m347–m348. doi: 10.1107/S1600536814019527
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)] = 0.060 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.174 H-atom parameters constrained
S = 0.99 w = 1/[σ2(Fo2) + (0.0928P)2 + 1.3834P] where P = (Fo2 + 2Fc2)/3
5293 reflections (Δ/σ)max = 0.006
373 parameters Δρmax = 0.87 e Å3
0 restraints Δρmin = −0.72 e Å3