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. 2015 Aug 22;71(Pt 9):o674. doi: 10.1107/S2056989015014620
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)] = 0.068 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.179 H atoms treated by a mixture of independent and constrained refinement
S = 1.00 w = 1/[σ2(Fo2) + (0.0657P)2] where P = (Fo2 + 2Fc2)/3
10367 reflections (Δ/σ)max < 0.001
177 parameters Δρmax = 0.78 e Å3
0 restraints Δρmin = −0.49 e Å3