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. 2011 Jun 22;67(Pt 7):o1764. doi: 10.1107/S1600536811023543
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)] = 0.046 Hydrogen site location: difference Fourier map
wR(F2) = 0.140 H-atom parameters constrained
S = 1.00 w = 1/[σ2(Fo2) + (0.068P)2 + 0.2334P] where P = (Fo2 + 2Fc2)/3
5887 reflections (Δ/σ)max < 0.001
237 parameters Δρmax = 0.30 e Å3
0 restraints Δρmin = −0.20 e Å3