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. 2022 Mar 31;7(Pt 3):x220332. doi: 10.1107/S2414314622003327
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.049 H-atom parameters constrained
wR(F2) = 0.120 w = 1/[σ2(Fo2) + (0.0479P)2 + 1.2289P] where P = (Fo2 + 2Fc2)/3
S = 1.25 (Δ/σ)max = 0.001
2547 reflections Δρmax = 0.45 e Å3
181 parameters Δρmin = −0.43 e Å3
0 restraints