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. 2013 Jul 24;69(Pt 8):o1296. doi: 10.1107/S160053681301934X
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)] = 0.058 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.194 H atoms treated by a mixture of independent and constrained refinement
S = 0.91 w = 1/[σ2(Fo2) + (0.0922P)2 + 0.2201P] where P = (Fo2 + 2Fc2)/3
3891 reflections (Δ/σ)max < 0.001
251 parameters Δρmax = 0.23 e Å3
0 restraints Δρmin = −0.20 e Å3