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. 2023 Sep 8;8(Pt 9):x230747. doi: 10.1107/S2414314623007472
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.056 Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.151 H-atom parameters constrained
S = 0.99 w = 1/[σ2(Fo2) + (0.0685P)2] where P = (Fo2 + 2Fc2)/3
3758 reflections (Δ/σ)max = 0.001
307 parameters Δρmax = 1.12 e Å3
0 restraints Δρmin = −0.60 e Å3