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. 2020 Oct 13;76(Pt 11):1748–1751. doi: 10.1107/S2056989020013596
Refinement on F2 0 restraints
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.056 H-atom parameters constrained
wR(F2) = 0.174 w = 1/[σ2(Fo2) + (0.0902P)2 + 0.0534P] where P = (Fo2 + 2Fc2)/3
S = 1.03 (Δ/σ)max < 0.001
3458 reflections Δρmax = 0.22 e Å3
240 parameters Δρmin = −0.18 e Å3