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. 2011 Apr 13;67(Pt 5):o1082. doi: 10.1107/S1600536811012591
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)] = 0.025 Hydrogen site location: difference Fourier map
wR(F2) = 0.065 H-atom parameters constrained
S = 1.15 w = 1/[σ2(Fo2) + (0.0297P)2 + 0.3709P] where P = (Fo2 + 2Fc2)/3
3477 reflections (Δ/σ)max = 0.001
192 parameters Δρmax = 0.29 e Å3
0 restraints Δρmin = −1.25 e Å3