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. 2018 Jul 6;74(Pt 8):1058–1062. doi: 10.1107/S2056989018009593
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)] = 0.043 Hydrogen site location: mixed
wR(F2) = 0.083 H atoms treated by a mixture of independent and constrained refinement
S = 1.06 w = 1/[σ2(Fo2) + (0.031P)2] where P = (Fo2 + 2Fc2)/3
2455 reflections (Δ/σ)max < 0.001
144 parameters Δρmax = 0.29 e Å3
1 restraint Δρmin = −0.24 e Å3