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. 2021 Jan 26;6(Pt 2):x210057. doi: 10.1107/S2414314621000572
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)] = 0.104 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.213 H-atom parameters constrained
S = 1.20 w = 1/[σ2(Fo2) + (0.050P)2 + 2.P] where P = (Fo2 + 2Fc2)/3
9324 reflections (Δ/σ)max < 0.001
676 parameters Δρmax = 0.36 e Å3
2 restraints Δρmin = −0.28 e Å3