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. 2023 Sep 12;8(Pt 9):x230780. doi: 10.1107/S2414314623007800
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.048 All H-atom parameters refined
wR(F2) = 0.134 w = 1/[σ2(Fo2) + (0.0498P)2 + 0.4436P] where P = (Fo2 + 2Fc2)/3
S = 1.01 (Δ/σ)max = 0.001
3872 reflections Δρmax = 0.20 e Å3
246 parameters Δρmin = −0.26 e Å3
0 restraints