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. 2014 Feb 12;70(Pt 3):o288. doi: 10.1107/S1600536814001986
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)] = 0.050 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.137 H atoms treated by a mixture of independent and constrained refinement
S = 1.06 w = 1/[σ2(Fo2) + (0.0602P)2 + 0.4349P] where P = (Fo2 + 2Fc2)/3
4956 reflections (Δ/σ)max < 0.001
234 parameters Δρmax = 0.33 e Å3
0 restraints Δρmin = −0.58 e Å3