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. 2017 May 26;73(Pt 6):890–892. doi: 10.1107/S205698901700740X
Refinement on F2 0 restraints
Least-squares matrix: full w = 1/[σ2(Fo2) + (0.0121P)2 + 3.2851P] where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.020 (Δ/σ)max = 0.001
wR(F2) = 0.047 Δρmax = 1.47 e Å3
S = 1.19 Δρmin = −0.92 e Å3
2137 reflections Extinction correction: SHELXL2014 (Sheldrick, 2015b), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
99 parameters Extinction coefficient: 0.00102 (10)