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. 2017 May 26;73(Pt 6):876–879. doi: 10.1107/S2056989017007381
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)] = 0.037 Hydrogen site location: mixed
wR(F2) = 0.102 H atoms treated by a mixture of independent and constrained refinement
S = 0.94 w = 1/[σ2(Fo2) + (0.064P)2] where P = (Fo2 + 2Fc2)/3
4795 reflections (Δ/σ)max = 0.001
393 parameters Δρmax = 0.16 e Å3
0 restraints Δρmin = −0.21 e Å3