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. 2022 Jun 7;78(Pt 7):682–686. doi: 10.1107/S2056989022005643
Refinement on F2 0 restraints
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.028 H-atom parameters constrained
wR(F2) = 0.070 w = 1/[σ2(Fo2) + (0.0273P)2 + 2.052P] where P = (Fo2 + 2Fc2)/3
S = 1.04 (Δ/σ)max = 0.001
5842 reflections Δρmax = 1.21 e Å3
255 parameters Δρmin = −0.98 e Å3