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. 2009 Mar 14;65(Pt 4):o750. doi: 10.1107/S1600536809008009
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)] = 0.030 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.083 H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0619P)2 + 0.1566P] where P = (Fo2 + 2Fc2)/3
2856 reflections (Δ/σ)max = 0.001
331 parameters Δρmax = 0.32 e Å3
1 restraint Δρmin = −0.21 e Å3