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. 2023 Apr 14;79(Pt 5):458–464. doi: 10.1107/S2056989023003158
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.032 All H-atom parameters refined
wR(F2) = 0.077 w = 1/[σ2(Fo2) + (0.0339P)2 + 0.639P] where P = (Fo2 + 2Fc2)/3
S = 1.02 (Δ/σ)max = 0.002
13541 reflections Δρmax = 0.67 e Å3
539 parameters Δρmin = −0.56 e Å3
0 restraints