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. 2009 Mar 31;65(Pt 4):o927. doi: 10.1107/S1600536809011222
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)] = 0.044 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.125 H atoms treated by a mixture of independent and constrained refinement
S = 1.02 w = 1/[σ2(Fo2) + (0.0699P)2 + 0.9032P] where P = (Fo2 + 2Fc2)/3
7857 reflections (Δ/σ)max = 0.001
365 parameters Δρmax = 0.46 e Å3
0 restraints Δρmin = −0.22 e Å3