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. 2016 Mar 4;72(Pt 4):460–462. doi: 10.1107/S2056989016003236
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) = 0.164 H-atom parameters constrained
S = 1.10 w = 1/[σ2(Fo2) + (0.1147P)2 + 0.0812P] where P = (Fo2 + 2Fc2)/3
1392 reflections (Δ/σ)max < 0.001
154 parameters Δρmax = 0.46 e Å3
1 restraint Δρmin = −0.22 e Å3