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. 2011 Jan 15;67(Pt 2):m203–m204. doi: 10.1107/S1600536811000870
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)] = 0.029 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.072 H atoms treated by a mixture of independent and constrained refinement
S = 1.08 w = 1/[σ2(Fo2) + (0.0339P)2 + 0.7419P] where P = (Fo2 + 2Fc2)/3
2571 reflections (Δ/σ)max < 0.001
122 parameters Δρmax = 2.36 e Å3
0 restraints Δρmin = −1.41 e Å3