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. 2011 Nov 23;67(Pt 12):m1814–m1815. doi: 10.1107/S1600536811048914
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)] = 0.041 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.054 H atoms treated by a mixture of independent and constrained refinement
S = 1.02 w = 1/[σ2(Fo2) + (0.0092P)2] where P = (Fo2 + 2Fc2)/3
4977 reflections (Δ/σ)max < 0.001
369 parameters Δρmax = 0.52 e Å3
3 restraints Δρmin = −0.42 e Å3