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. 2022 Apr 12;78(Pt 5):496–499. doi: 10.1107/S2056989022003784
Refinement on F2 0 restraints
Least-squares matrix: full Hydrogen site location: mixed
R[F2 > 2σ(F2)] = 0.060 H-atom parameters constrained
wR(F2) = 0.175 w = 1/[σ2(Fo2) + (0.0802P)2 + 0.8154P] where P = (Fo2 + 2Fc2)/3
S = 1.06 (Δ/σ)max = 0.001
4925 reflections Δρmax = 1.12 e Å3
339 parameters Δρmin = −0.45 e Å3