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. 2018 Nov 30;74(Pt 12):1899–1902. doi: 10.1107/S2056989018016432
Refinement on F2 Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.040 w = 1/[σ2(Fo2) + (0.0684P)2 + 0.645P] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.109 (Δ/σ)max < 0.001
S = 1.03 Δρmax = 0.48 e Å3
4717 reflections Δρmin = −0.42 e Å3
287 parameters Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
0 restraints Extinction coefficient: 0.0166 (16)