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. 2023 Sep 29;79(Pt 10):946–951. doi: 10.1107/S2056989023008393
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full w = 1/[σ2(Fo2) + (0.0114P)2 + 0.7123P] where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.011 (Δ/σ)max = 0.001
wR(F2) = 0.027 Δρmax = 0.37 e Å3
S = 1.31 Δρmin = −0.42 e Å3
1029 reflections Extinction correction: SHELXL-2019/3 (Sheldrick, 2015b), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
61 parameters Extinction coefficient: 0.00053 (3)
2 restraints