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. 2010 May 29;66(Pt 6):o1479. doi: 10.1107/S160053681001901X
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)] = 0.059 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.213 H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.1259P)2 + 4.1414P] where P = (Fo2 + 2Fc2)/3
4398 reflections (Δ/σ)max < 0.001
218 parameters Δρmax = 0.53 e Å3
0 restraints Δρmin = −0.77 e Å3