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. 2023 Sep 26;79(Pt 10):931–935. doi: 10.1107/S2056989023008083
Refinement on F2 0 restraints
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.033 H-atom parameters constrained
wR(F2) = 0.083 w = 1/[σ2(Fo2) + (0.0294P)2 + 1.8163P] where P = (Fo2 + 2Fc2)/3
S = 1.05 (Δ/σ)max < 0.001
5201 reflections Δρmax = 0.43 e Å3
295 parameters Δρmin = −0.35 e Å3