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. 2013 Jul 13;69(Pt 8):o1242. doi: 10.1107/S1600536813018618
Refinement on F2 Primary atom site location: difference Fourier map
Least-squares matrix: full Secondary atom site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.044 Hydrogen site location: difference Fourier map
wR(F2) = 0.117 H atoms treated by a mixture of independent and constrained refinement
S = 1.08 W = 1/[Σ2(Fo2) + (0.0539P)2 + 0.3155P] where P = (Fo2 + 2Fc2)/3
3374 reflections (Δ/σ)max < 0.001
170 parameters Δρmax = 0.31 e Å3
0 restraints Δρmin = −0.24 e Å3