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. 2012 Sep 15;68(Pt 10):m1262–m1263. doi: 10.1107/S1600536812038317
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)] = 0.045 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.122 H-atom parameters constrained
S = 1.08 w = 1/[σ2(Fo2) + (0.059P)2 + 2.0072P] where P = (Fo2 + 2Fc2)/3
11118 reflections (Δ/σ)max = 0.001
744 parameters Δρmax = 0.48 e Å3
0 restraints Δρmin = −0.44 e Å3