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. 2020 Oct 9;76(Pt 11):1725–1727. doi: 10.1107/S2056989020012955
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)] = 0.018 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.036 H-atom parameters constrained
S = 1.09 w = 1/[σ2(Fo2) + (0.0071P)2 + 3.5107P] where P = (Fo2 + 2Fc2)/3
5655 reflections (Δ/σ)max = 0.001
264 parameters Δρmax = 0.92 e Å3
0 restraints Δρmin = −1.09 e Å3