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. 2014 Aug 1;70(Pt 9):o968–o969. doi: 10.1107/S1600536814017188
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)] = 0.046 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.121 H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0618P)2 + 0.4334P] where P = (Fo2 + 2Fc2)/3
4305 reflections (Δ/σ)max < 0.001
262 parameters Δρmax = 0.48 e Å3
0 restraints Δρmin = −0.35 e Å3