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. 2013 Oct 2;69(Pt 11):m573. doi: 10.1107/S1600536813026524
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)] = 0.080 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.306 H-atom parameters constrained
S = 1.07 w = 1/[σ2(Fo2) + (0.1513P)2 + 4.0805P] where P = (Fo2 + 2Fc2)/3
5465 reflections (Δ/σ)max < 0.001
444 parameters Δρmax = 0.92 e Å3
0 restraints Δρmin = −1.09 e Å3