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. 2014 Nov 29;70(Pt 12):593–595. doi: 10.1107/S1600536814025756
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)] = 0.060 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.163 H-atom parameters constrained
S = 1.00 w = 1/[σ2(Fo2) + (0.085P)2] where P = (Fo2 + 2Fc2)/3
4183 reflections (Δ/σ)max < 0.001
307 parameters Δρmax = 0.72 e Å3
1 restraint Δρmin = −0.25 e Å3