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. 2014 Aug 1;70(Pt 9):o926. doi: 10.1107/S1600536814016407
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)] = 0.034 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.100 H atoms treated by a mixture of independent and constrained refinement
S = 1.08 w = 1/[σ2(Fo2) + (0.0559P)2 + 0.3598P] where P = (Fo2 + 2Fc2)/3
1986 reflections (Δ/σ)max < 0.001
145 parameters Δρmax = 0.21 e Å3
0 restraints Δρmin = −0.16 e Å3