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. 2018 May 22;74(Pt 6):840–845. doi: 10.1107/S2056989018007454
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)] = 0.027 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.064 H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.031P)2 + 0.2272P] where P = (Fo2 + 2Fc2)/3
3344 reflections (Δ/σ)max = 0.001
147 parameters Δρmax = 0.36 e Å3
0 restraints Δρmin = −0.34 e Å3