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. 2023 Jan 31;8(Pt 1):x230065. doi: 10.1107/S2414314623000652
Refinement on F2 Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.062 w = 1/[σ2(Fo2) + (0.0695P)2 + 1.2547P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.186 (Δ/σ)max < 0.001
S = 1.11 Δρmax = 0.38 e Å3
4026 reflections Δρmin = −0.58 e Å3
209 parameters Extinction correction: SHELXL-2018/3 (Sheldrick 2015b), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraints Extinction coefficient: 0.0115 (19)