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. 2019 Oct 29;75(Pt 11):1759–1762. doi: 10.1107/S2056989019014142
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)] = 0.042 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.081 H-atom parameters constrained
S = 1.00 w = 1/[σ2(Fo2) + (0.0318P)2] where P = (Fo2 + 2Fc2)/3
3336 reflections (Δ/σ)max = 0.001
237 parameters Δρmax = 0.33 e Å3
41 restraints Δρmin = −0.37 e Å3
0 constraints