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. 2022 Mar 31;78(Pt 4):445–448. doi: 10.1107/S2056989022003279
Refinement on F2 Primary atom site location: dual
Least-squares matrix: full Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.027 H-atom parameters constrained
wR(F2) = 0.084 w = 1/[σ2(Fo2) + (0.0489P)2 + 0.2455P] where P = (Fo2 + 2Fc2)/3
S = 1.03 (Δ/σ)max = 0.001
6759 reflections Δρmax = 0.62 e Å3
174 parameters Δρmin = −0.19 e Å3
0 restraints