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. 2019 Mar 26;75(Pt 4):492–498. doi: 10.1107/S2056989019003700
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)] = 0.045 Hydrogen site location: mixed
wR(F2) = 0.115 H atoms treated by a mixture of independent and constrained refinement
S = 0.98 w = 1/[σ2(Fo2) + (0.0513P)2] where P = (Fo2 + 2Fc2)/3
4242 reflections (Δ/σ)max < 0.001
178 parameters Δρmax = 0.28 e Å3
1 restraint Δρmin = −0.70 e Å3